N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine

C18H30N6 — CID 143397266

IUPACN',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(CN2CCNCC2)nc2c1=CCCC=2
InChIInChI=1S/C18H30N6/c1-23(2)11-5-8-20-18-15-6-3-4-7-16(15)21-17(22-18)14-24-12-9-19-10-13-24/h6-7,19H,3-5,8-14H2,1-2H3,(H,20,21,22)
InChIKeyDRVWSBNPVKZNGS-UHFFFAOYSA-N
MW330.48 g/mol
LogP-0.40
Rot. Bonds7

About N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine (PubChem CID 143397266) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine
PubChem CID143397266
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(CN2CCNCC2)nc2c1=CCCC=2
InChIInChI=1S/C18H30N6/c1-23(2)11-5-8-20-18-15-6-3-4-7-16(15)21-17(22-18)14-24-12-9-19-10-13-24/h6-7,19H,3-5,8-14H2,1-2H3,(H,20,21,22)
InChIKeyDRVWSBNPVKZNGS-UHFFFAOYSA-N
XLogP-0.40
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-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

(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
CID 71156008
(3Z,5Z)-N-[(2E,4E,6E)-7-fluoro-4,8-dimethyl-2-[(6E)-5-methylidene-6-[(E)-2-(6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidin-2-yl)but-2-enylidene]-2-pyridinyl]nona-2,4,6,8-tetraen-3-yl]hepta-3,5-dien-2-imine
CID 156403874
1-methanidylpiperazine;5H-quinazolin-5-ide-2,4-diamine;uranium(2+)
CID 57576577
3-(1-Aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine
CID 70226312
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
N'-[C-[(E)-2-(3,4-dihydropyridin-6-yl)ethenyl]-N-methylcarbonimidoyl]-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123385845
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
1-N-methyl-1-N-[7-(4-piperidin-1-ylcyclohepta-1,3-dien-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]butane-1,3-diamine
CID 132039074
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
4-Cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
CID 142510978

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine (CID 143397266) is N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine is CN(C)CCCNc1nc(CN2CCNCC2)nc2c1=CCCC=2.
What is the InChIKey of N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine?
The InChIKey is DRVWSBNPVKZNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-23(2)11-5-8-20-18-15-6-3-4-7-16(15)21-17(22-18)14-24-12-9-19-10-13-24/h6-7,19H,3-5,8-14H2,1-2H3,(H,20,21,22).
What are the key properties of N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine has a molecular weight of 330.48 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(piperazin-1-ylmethyl)-6,7-dihydroquinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 143397266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).