5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

C14H19N5O4S — CID 130435904

IUPAC5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
InChIInChI=1S/C14H19N5O4S/c1-7(2)11-8(23-9-6-17-14(16)19-12(9)15)5-10(24(4,20)21)13(18-11)22-3/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyOWUISLMESSBJCD-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.36
Rot. Bonds5

About 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 130435904) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID130435904
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
InChIInChI=1S/C14H19N5O4S/c1-7(2)11-8(23-9-6-17-14(16)19-12(9)15)5-10(24(4,20)21)13(18-11)22-3/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyOWUISLMESSBJCD-UHFFFAOYSA-N
XLogP1.36
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[6-Methoxy-2-propan-2-yl-5-(trifluoromethyl)pyridin-3-yl]oxypyrimidine-2,4-diamine
CID 130435890
5-[6-Methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)pyridin-3-yl]sulfanylpyrimidine-2,4-diamine
CID 130474287
5-[6-Methoxy-2-propan-2-yl-5-(trifluoromethyl)pyridin-3-yl]sulfanylpyrimidine-2,4-diamine
CID 130474299
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
6-[5-(2,2-difluoropropoxy)-2-pyridinyl]-5-ethylsulfonyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 134166762
Ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 145374311
4-[3-[3-(Difluoromethoxy)-5-(methylsulfonylmethyl)pyridin-2-yl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215493
2-[(4-Fluorophenoxy)methyl]-5-(methylsulfonyl)-4-piperidin-3-ylpyrimidine
CID 56863043
2-[(3-Fluorophenoxy)methyl]-5-(methylsulfonyl)-4-piperidin-3-ylpyrimidine
CID 56871466
2-[(4-fluorophenoxy)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95415988
2-[(4-fluorophenoxy)methyl]-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidine
CID 95415991

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 130435904) is 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O.
What is the InChIKey of 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is OWUISLMESSBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-7(2)11-8(23-9-6-17-14(16)19-12(9)15)5-10(24(4,20)21)13(18-11)22-3/h5-7H,1-4H3,(H4,15,16,17,19).
What are the key properties of 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 353.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130435904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).