5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine

C8H10ClN3 — CID 59584727

IUPAC5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC2)ncc1Cl
InChIInChI=1S/C8H10ClN3/c1-5-7(9)4-10-8(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyKVTWPXBQPCJPEX-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.01
Rot. Bonds2

About 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine

5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine (PubChem CID 59584727) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine
PubChem CID59584727
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2CC2)ncc1Cl
InChIInChI=1S/C8H10ClN3/c1-5-7(9)4-10-8(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyKVTWPXBQPCJPEX-UHFFFAOYSA-N
XLogP2.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dichloro-4-methylpyrimidine
CID 21278621
5-Chloro-4-methylpyrimidine-2-carbonitrile
CID 13860976
5-Chloro-4-methylpyrimidine
CID 12600385
5-Chloro-2-fluoro-4-methylpyrimidine
CID 21667405
5-Chloro-2-propyl-4-(trifluoromethyl)pyrimidine
CID 22008863
2-Butyl-5-chloro-4-(trifluoromethyl)pyrimidine
CID 54208297
5-Chloro-2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 54332877
5-Chloro-2-methyl-4-(trifluoromethyl)pyrimidine
CID 54383530
5-Chloro-4-(trifluoromethyl)pyrimidin-2-amine
CID 71721078
5-Chloro-2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
CID 89849591
5-Chloro-4-(difluoromethyl)pyrimidine
CID 129915237
5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
CID 153314239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine (CID 59584727) is 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine is Cc1nc(NC2CC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine?
The InChIKey is KVTWPXBQPCJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5-7(9)4-10-8(11-5)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine?
5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 59584727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).