6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

C15H18ClN3S — CID 80951010

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cc1cccs1)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H18ClN3S/c1-10(8-12-4-3-7-20-12)19(2)14-9-13(16)17-15(18-14)11-5-6-11/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyZNEIBGKVBUMDEU-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.14
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80951010) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80951010
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cc1cccs1)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H18ClN3S/c1-10(8-12-4-3-7-20-12)19(2)14-9-13(16)17-15(18-14)11-5-6-11/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyZNEIBGKVBUMDEU-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 133416328
4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
CID 121205893
6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
CID 80953241
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 107380520
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (CID 80951010) is 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is CC(Cc1cccs1)N(C)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is ZNEIBGKVBUMDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-10(8-12-4-3-7-20-12)19(2)14-9-13(16)17-15(18-14)11-5-6-11/h3-4,7,9-11H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 307.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80951010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).