[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine

C15H24N4 — CID 28908587

IUPAC[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
SMILESNCc1nc(N2CCCCCC2)nc2c1CCCC2
InChIInChI=1S/C15H24N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-11,16H2
InChIKeyKQPUWSPWMGZYBG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds2

About [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine

[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine (PubChem CID 28908587) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
PubChem CID28908587
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
SMILESNCc1nc(N2CCCCCC2)nc2c1CCCC2
InChIInChI=1S/C15H24N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-11,16H2
InChIKeyKQPUWSPWMGZYBG-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine;dihydrochloride
CID 82022696
2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
CID 39358324
2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 46973139
(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine
CID 83862912
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine;hydrochloride
CID 55270015
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine?
The IUPAC name of [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine (CID 28908587) is [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine is NCc1nc(N2CCCCCC2)nc2c1CCCC2.
What is the InChIKey of [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine?
The InChIKey is KQPUWSPWMGZYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-11,16H2.
What are the key properties of [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine?
[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine is sourced from PubChem (CID 28908587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).