2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine

C16H24N4 — CID 142229396

IUPAC2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2)nc2c1=CCCC=2
InChIInChI=1S/C16H24N4/c1-17-15-13-9-5-6-10-14(13)19-16(20-15)18-11-12-7-3-2-4-8-12/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19,20)
InChIKeyAVHJJGCARRNSEI-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.87
Rot. Bonds4

About 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine

2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine (PubChem CID 142229396) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
PubChem CID142229396
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2)nc2c1=CCCC=2
InChIInChI=1S/C16H24N4/c1-17-15-13-9-5-6-10-14(13)19-16(20-15)18-11-12-7-3-2-4-8-12/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19,20)
InChIKeyAVHJJGCARRNSEI-UHFFFAOYSA-N
XLogP1.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Butyl-6-(4-ethylhept-1-en-2-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-methylidene-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 130183252
ethane;3-[3-(methylamino)but-3-enyl]-7-(2-methylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-4H-quinazolin-2-amine;methylcyclopentane
CID 143181692
2-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 153756516
7-N-cyclohexyl-1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
CID 170188169
N'-[7-[1-amino-3-(cyclohexylmethylimino)prop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide
CID 173846406
1-(4-Aminocyclohex-2-en-1-yl)-2-[6-(4-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-2-yl]guanidine
CID 173890090
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230604
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230849

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine (CID 142229396) is 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine is CNc1nc(NCC2CCCCC2)nc2c1=CCCC=2.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
The InChIKey is AVHJJGCARRNSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-17-15-13-9-5-6-10-14(13)19-16(20-15)18-11-12-7-3-2-4-8-12/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine?
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 142229396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).