2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H20ClN3 — CID 82460740

IUPAC2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESClc1nc2c(c(NC3CCCCC3)n1)CCCC2
InChIInChI=1S/C14H20ClN3/c15-14-17-12-9-5-4-8-11(12)13(18-14)16-10-6-2-1-3-7-10/h10H,1-9H2,(H,16,17,18)
InChIKeyRJAQCZGHHFXZJX-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 82460740) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID82460740
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESClc1nc2c(c(NC3CCCCC3)n1)CCCC2
InChIInChI=1S/C14H20ClN3/c15-14-17-12-9-5-4-8-11(12)13(18-14)16-10-6-2-1-3-7-10/h10H,1-9H2,(H,16,17,18)
InChIKeyRJAQCZGHHFXZJX-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102212
2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 15886985
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268180
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 130505615
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
2-chloro-N-cycloheptyl-7-methylpurin-6-amine
CID 82460223
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 82460740) is 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine is Clc1nc2c(c(NC3CCCCC3)n1)CCCC2.
What is the InChIKey of 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is RJAQCZGHHFXZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-14-17-12-9-5-4-8-11(12)13(18-14)16-10-6-2-1-3-7-10/h10H,1-9H2,(H,16,17,18).
What are the key properties of 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 82460740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).