2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine

C17H22N4 — CID 105060634

IUPAC2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
SMILESCC(CN)(Nc1ncnc2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H22N4/c1-17(11-18,13-7-3-2-4-8-13)21-16-14-9-5-6-10-15(14)19-12-20-16/h2-4,7-8,12H,5-6,9-11,18H2,1H3,(H,19,20,21)
InChIKeyNLXIGOXFABTYPB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.64
Rot. Bonds4

About 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine

2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine (PubChem CID 105060634) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
PubChem CID105060634
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
SMILESCC(CN)(Nc1ncnc2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H22N4/c1-17(11-18,13-7-3-2-4-8-13)21-16-14-9-5-6-10-15(14)19-12-20-16/h2-4,7-8,12H,5-6,9-11,18H2,1H3,(H,19,20,21)
InChIKeyNLXIGOXFABTYPB-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine 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

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142476
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284029
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
CID 106143012
N-(2-phenylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 104591722
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
(E)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)but-2-ene-1,4-diamine
CID 113414897
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine (CID 105060634) is 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine is CC(CN)(Nc1ncnc2c1CCCC2)c1ccccc1.
What is the InChIKey of 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine?
The InChIKey is NLXIGOXFABTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-17(11-18,13-7-3-2-4-8-13)21-16-14-9-5-6-10-15(14)19-12-20-16/h2-4,7-8,12H,5-6,9-11,18H2,1H3,(H,19,20,21).
What are the key properties of 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine?
2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 105060634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).