2-propylsulfanylpyrimidin-5-amine

C7H11N3S — CID 61147250

IUPAC2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N)cn1
InChIInChI=1S/C7H11N3S/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3,8H2,1H3
InChIKeyACJZBBWWVVZKBR-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.56
Rot. Bonds3

About 2-propylsulfanylpyrimidin-5-amine

2-propylsulfanylpyrimidin-5-amine (PubChem CID 61147250) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-propylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-propylsulfanylpyrimidin-5-amine
PubChem CID61147250
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N)cn1
InChIInChI=1S/C7H11N3S/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3,8H2,1H3
InChIKeyACJZBBWWVVZKBR-UHFFFAOYSA-N
XLogP1.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidin-5-amine
CID 344373
Pyrimidine-2,5-diamine
CID 229075
2-(Ethylsulfanyl)pyrimidine
CID 12764701
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
N,N-dimethylpyrimidin-5-amine
CID 578965
5-Amino-2-(methylthio)pyrimidine
CID 12215991
2-Chloropyrimidin-5-amine
CID 12215993
2-Methanesulfonylpyrimidin-5-amine
CID 549170
Pyrimidine, 4,5-diamino-2-methylthio-
CID 23422084
2-Fluoropyrimidin-5-amine
CID 12215992
4-Chloro-2-(propylsulfanyl)pyrimidin-5-amine
CID 24865889
N2-methylpyrimidine-2,5-diamine
CID 61146915

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-propylsulfanylpyrimidin-5-amine (CID 61147250) is 2-propylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-propylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-propylsulfanylpyrimidin-5-amine is CCCSc1ncc(N)cn1.
What is the InChIKey of 2-propylsulfanylpyrimidin-5-amine?
The InChIKey is ACJZBBWWVVZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-propylsulfanylpyrimidin-5-amine?
2-propylsulfanylpyrimidin-5-amine has a molecular weight of 169.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 61147250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).