2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine

C15H21N5S — CID 80990773

IUPAC2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2nccn2C)c1C
InChIInChI=1S/C15H21N5S/c1-4-7-16-12-10(2)14(19-13(18-12)11-5-6-11)21-15-17-8-9-20(15)3/h8-9,11H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyRGMDDLWVINLZLZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.37
Rot. Bonds6

About 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80990773) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
PubChem CID80990773
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2nccn2C)c1C
InChIInChI=1S/C15H21N5S/c1-4-7-16-12-10(2)14(19-13(18-12)11-5-6-11)21-15-17-8-9-20(15)3/h8-9,11H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyRGMDDLWVINLZLZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
2-cyclopropyl-5-methyl-6-(2-methylimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80992611
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-5-methyl-4-N-(1-methylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80992491
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 80994731
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine (CID 80990773) is 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(Sc2nccn2C)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is RGMDDLWVINLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-7-16-12-10(2)14(19-13(18-12)11-5-6-11)21-15-17-8-9-20(15)3/h8-9,11H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80990773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).