2-pyridin-4-ylsulfanylpyrimidin-4-amine

C9H8N4S — CID 116798308

IUPAC2-pyridin-4-ylsulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2ccncc2)n1
InChIInChI=1S/C9H8N4S/c10-8-3-6-12-9(13-8)14-7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)
InChIKeyVUVSISDLUUZGEG-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.61
Rot. Bonds2

About 2-pyridin-4-ylsulfanylpyrimidin-4-amine

2-pyridin-4-ylsulfanylpyrimidin-4-amine (PubChem CID 116798308) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanylpyrimidin-4-amine
PubChem CID116798308
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name2-pyridin-4-ylsulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2ccncc2)n1
InChIInChI=1S/C9H8N4S/c10-8-3-6-12-9(13-8)14-7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)
InChIKeyVUVSISDLUUZGEG-UHFFFAOYSA-N
XLogP1.61
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyridin-2-yl)pyrimidin-4-amine
CID 12403616
Tasuldine
CID 65666
2,6-Dipiperidyl-4-(2-pyridylthio)-1,3,5-triazine
CID 1326706
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
2-(Pyridin-4-yl)pyrimidin-4-amine
CID 2804233
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 690669
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
5-(Methylsulfonyl)-2-(3-pyridinyl)-4-pyrimidinamine
CID 1488239
4-Amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 2726869
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233723
(6-Methyl-pyridin-2-yl)-(3-methylsulfanyl-pyridin-2-yl)-amine
CID 44404932

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-pyridin-4-ylsulfanylpyrimidin-4-amine (CID 116798308) is 2-pyridin-4-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-4-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-pyridin-4-ylsulfanylpyrimidin-4-amine is Nc1ccnc(Sc2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-ylsulfanylpyrimidin-4-amine?
The InChIKey is VUVSISDLUUZGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-8-3-6-12-9(13-8)14-7-1-4-11-5-2-7/h1-6H,(H2,10,12,13).
What are the key properties of 2-pyridin-4-ylsulfanylpyrimidin-4-amine?
2-pyridin-4-ylsulfanylpyrimidin-4-amine has a molecular weight of 204.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 116798308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).