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

C15H22ClN3 — CID 80970000

IUPAC6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCCCCC1
InChIInChI=1S/C15H22ClN3/c1-10-13(16)18-15(11-8-9-11)19-14(10)17-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyJZFRDDXTAIPZFD-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine

6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80970000) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80970000
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCCCCC1
InChIInChI=1S/C15H22ClN3/c1-10-13(16)18-15(11-8-9-11)19-14(10)17-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyJZFRDDXTAIPZFD-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
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-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
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-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80970000) is 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CCCCCC1.
What is the InChIKey of 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is JZFRDDXTAIPZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-10-13(16)18-15(11-8-9-11)19-14(10)17-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).