methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

C30H46N10O4S — CID 160512599

IUPACmethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESC.C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC
InChIInChI=1S/C14H19N5O2S.C14H19N5O2.2CH4/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15;1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;;/h5-7H,1-4H3,(H4,15,16,17,19);5-7H,1-4H3,(H4,15,16,17,19);2*1H4
InChIKeyQTFXTWQEJLTSGW-UHFFFAOYSA-N
MW642.83 g/mol
LogP6.22
Rot. Bonds9

About methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 160512599) has the molecular formula C30H46N10O4S and a molecular weight of 642.83 g/mol. Its IUPAC name is methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Namemethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID160512599
Molecular FormulaC30H46N10O4S
Molecular Weight642.83 g/mol
Exact Mass642.34
IUPAC Namemethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESC.C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC
InChIInChI=1S/C14H19N5O2S.C14H19N5O2.2CH4/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15;1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;;/h5-7H,1-4H3,(H4,15,16,17,19);5-7H,1-4H3,(H4,15,16,17,19);2*1H4
InChIKeyQTFXTWQEJLTSGW-UHFFFAOYSA-N
XLogP6.22
TPSA218.34 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 56.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
CID 118249298
2-Iodo-5-[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)pyridin-3-yl]oxypyrimidin-4-amine
CID 130474363
5-[6-Methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)pyridin-3-yl]oxypyrimidine-2,4-diamine
CID 130474373
Ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 145374311
5-(4-Amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 160074973
5-[(5-Chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine
CID 161418962
5-(4-Amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 162133021
5-[[6-Methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 145374312
5-Ethyl-2-{4-[({6-[4-(methylsulfonyl)phenyl]-3-pyridinyl}oxy)methyl]-1-piperidinyl}pyrimidine
CID 24994649
5-[4-(5-Methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine
CID 59198371
5-[6-[5-[2-(Dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 59507556
5-[6-(5-Methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507865

Frequently Asked Questions

What is the IUPAC name of methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 160512599) is methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is C.C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC.
What is the InChIKey of methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is QTFXTWQEJLTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.C14H19N5O2.2CH4/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15;1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;;/h5-7H,1-4H3,(H4,15,16,17,19);5-7H,1-4H3,(H4,15,16,17,19);2*1H4.
What are the key properties of methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 642.83 g/mol, XLogP of 6.22, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 160512599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).