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

C14H19N5O2S — CID 130474262

IUPAC5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC
InChIInChI=1S/C14H19N5O2S/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyTZRHTTGKNUGBIT-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.68
Rot. Bonds5

About 5-[(6-methoxy-5-methylsulfanyl-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 130474262) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID130474262
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC
InChIInChI=1S/C14H19N5O2S/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyTZRHTTGKNUGBIT-UHFFFAOYSA-N
XLogP2.68
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 130474262) is 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC.
What is the InChIKey of 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is TZRHTTGKNUGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15/h5-7H,1-4H3,(H4,15,16,17,19).
What are the key properties of 5-[(6-methoxy-5-methylsulfanyl-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 321.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130474262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).