6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine

C15H22ClN3 — CID 114549347

IUPAC6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCC(C)(C)C1
InChIInChI=1S/C15H22ClN3/c1-9-12(16)18-14(10-4-5-10)19-13(9)17-11-6-7-15(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyZWFUIZUEFAWSSL-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine (PubChem CID 114549347) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
PubChem CID114549347
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCC(C)(C)C1
InChIInChI=1S/C15H22ClN3/c1-9-12(16)18-14(10-4-5-10)19-13(9)17-11-6-7-15(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyZWFUIZUEFAWSSL-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 114542185
6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80978454
4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114542178
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 114109081
6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
CID 80972393
4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192202
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine (CID 114549347) is 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CCC(C)(C)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The InChIKey is ZWFUIZUEFAWSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-9-12(16)18-14(10-4-5-10)19-13(9)17-11-6-7-15(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114549347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).