N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H23N5 — CID 136522247

IUPACN-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC(C)Cn3ccnc3)n1)CCCC2
InChIInChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)9-18-16-14-5-3-4-6-15(14)19-13(2)20-16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyKGOQOHGAYDOPGK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds5

About N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 136522247) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID136522247
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC(C)Cn3ccnc3)n1)CCCC2
InChIInChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)9-18-16-14-5-3-4-6-15(14)19-13(2)20-16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyKGOQOHGAYDOPGK-UHFFFAOYSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 56706674
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
CID 97257201
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
(2R)-N-ethyl-N,2-dimethyl-N'-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)propane-1,3-diamine
CID 95868473
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
CID 166225615
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461164
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
CID 124505464
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 136522247) is N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCC(C)Cn3ccnc3)n1)CCCC2.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KGOQOHGAYDOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)9-18-16-14-5-3-4-6-15(14)19-13(2)20-16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 136522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).