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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Related Compounds

6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
CID 113490935
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
CID 115715788
6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
CID 113490924
2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234334
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine
CID 103078897
2-chloro-6-methyl-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 114043935
4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715766
4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 113490930
5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715718
2-chloro-6-methyl-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-4,5-diamine
CID 114043960
2-chloro-6-methyl-4-N-(4,4,4-trifluorobutan-2-yl)pyrimidine-4,5-diamine
CID 114129617

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).