N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine

C11H14ClN3 — CID 130701603

IUPACN-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
SMILESClc1nccc(NC2C3CCCCC32)n1
InChIInChI=1S/C11H14ClN3/c12-11-13-6-5-9(15-11)14-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyDCKOMDUWEOGPKT-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.73
Rot. Bonds2

About N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine

N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine (PubChem CID 130701603) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
PubChem CID130701603
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
SMILESClc1nccc(NC2C3CCCCC32)n1
InChIInChI=1S/C11H14ClN3/c12-11-13-6-5-9(15-11)14-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15)
InChIKeyDCKOMDUWEOGPKT-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine?
The IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine (CID 130701603) is N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine is Clc1nccc(NC2C3CCCCC32)n1.
What is the InChIKey of N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine?
The InChIKey is DCKOMDUWEOGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11-13-6-5-9(15-11)14-10-7-3-1-2-4-8(7)10/h5-8,10H,1-4H2,(H,13,14,15).
What are the key properties of N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine?
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 130701603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).