6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine

C12H19N3S — CID 115620936

IUPAC6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCSCC2)ncn1
InChIInChI=1S/C12H19N3S/c1-9(2)11-7-12(14-8-13-11)15-10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyVHGIYEOPRKFKAT-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds3

About 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine

6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine (PubChem CID 115620936) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
PubChem CID115620936
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NC2CCSCC2)ncn1
InChIInChI=1S/C12H19N3S/c1-9(2)11-7-12(14-8-13-11)15-10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyVHGIYEOPRKFKAT-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 61240751
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-cyclopentyl-5-propan-2-ylpyrazin-2-amine
CID 118329101

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine (CID 115620936) is 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine is CC(C)c1cc(NC2CCSCC2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine?
The InChIKey is VHGIYEOPRKFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(2)11-7-12(14-8-13-11)15-10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine?
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 115620936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).