4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine

C11H13N5OS — CID 172624248

IUPAC4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCOc1cnc(Nc2cc(N)ncn2)c(SC)c1
InChIInChI=1S/C11H13N5OS/c1-17-7-3-8(18-2)11(13-5-7)16-10-4-9(12)14-6-15-10/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeySXBILGXFIHSRIS-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.93
Rot. Bonds4

About 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine

4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 172624248) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine
PubChem CID172624248
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCOc1cnc(Nc2cc(N)ncn2)c(SC)c1
InChIInChI=1S/C11H13N5OS/c1-17-7-3-8(18-2)11(13-5-7)16-10-4-9(12)14-6-15-10/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeySXBILGXFIHSRIS-UHFFFAOYSA-N
XLogP1.93
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine (CID 172624248) is 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine is COc1cnc(Nc2cc(N)ncn2)c(SC)c1.
What is the InChIKey of 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine?
The InChIKey is SXBILGXFIHSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-17-7-3-8(18-2)11(13-5-7)16-10-4-9(12)14-6-15-10/h3-6H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine?
4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 263.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 172624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).