2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine

C7H12N4OS — CID 116797406

IUPAC2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)CCNc1nccc(N)n1
InChIInChI=1S/C7H12N4OS/c1-13(12)5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11)
InChIKeyZSLYNYHDRPMDQR-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.15
Rot. Bonds4

About 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine

2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine (PubChem CID 116797406) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
PubChem CID116797406
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)CCNc1nccc(N)n1
InChIInChI=1S/C7H12N4OS/c1-13(12)5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11)
InChIKeyZSLYNYHDRPMDQR-UHFFFAOYSA-N
XLogP-0.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 131209110
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
CID 133304625
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine (CID 116797406) is 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine is CS(=O)CCNc1nccc(N)n1.
What is the InChIKey of 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine?
The InChIKey is ZSLYNYHDRPMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-13(12)5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine?
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine has a molecular weight of 200.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).