2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine

C10H11N5S — CID 845593

IUPAC2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2cccnc2)n1
InChIInChI=1S/C10H11N5S/c11-8-4-9(12)15-10(14-8)16-6-7-2-1-3-13-5-7/h1-5H,6H2,(H4,11,12,14,15)
InChIKeySEJAIXQJFNKSGT-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.33
Rot. Bonds3

About 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine

2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 845593) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID845593
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2cccnc2)n1
InChIInChI=1S/C10H11N5S/c11-8-4-9(12)15-10(14-8)16-6-7-2-1-3-13-5-7/h1-5H,6H2,(H4,11,12,14,15)
InChIKeySEJAIXQJFNKSGT-UHFFFAOYSA-N
XLogP1.33
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Tasuldine
CID 65666
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
2-(Pyridin-3-yl)pyrimidine
CID 13349629
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
CID 6896559
1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-pyridinyl)-
CID 740942
4-n-Butylamino-2-methylthiopyrido(2,3-d)pyrimidine
CID 175082
N-benzyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3233704
5-(Isopropylsulfonyl)-2-(3-pyridyl)pyrimidin-4-amine
CID 2778658
MD 39-AM
CID 175083

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine (CID 845593) is 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2cccnc2)n1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is SEJAIXQJFNKSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c11-8-4-9(12)15-10(14-8)16-6-7-2-1-3-13-5-7/h1-5H,6H2,(H4,11,12,14,15).
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 233.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 845593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).