2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine

C10H17ClN4OS — CID 114043968

IUPAC2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCCC(C)S(C)=O)c1N
InChIInChI=1S/C10H17ClN4OS/c1-6(17(3)16)4-5-13-9-8(12)7(2)14-10(11)15-9/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeySMVXCMUFAZAUBV-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.59
Rot. Bonds5

About 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine (PubChem CID 114043968) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
PubChem CID114043968
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCCC(C)S(C)=O)c1N
InChIInChI=1S/C10H17ClN4OS/c1-6(17(3)16)4-5-13-9-8(12)7(2)14-10(11)15-9/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeySMVXCMUFAZAUBV-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine (CID 114043968) is 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NCCC(C)S(C)=O)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine?
The InChIKey is SMVXCMUFAZAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-6(17(3)16)4-5-13-9-8(12)7(2)14-10(11)15-9/h6H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine has a molecular weight of 276.79 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).