N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H21N3 — CID 133462016

IUPACN-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC#CCN(CC1CC1)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C16H21N3/c1-3-10-19(11-13-8-9-13)16-14-6-4-5-7-15(14)17-12(2)18-16/h1,13H,4-11H2,2H3
InChIKeyPZJQFMPYHRADHH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds4

About N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462016) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462016
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC#CCN(CC1CC1)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C16H21N3/c1-3-10-19(11-13-8-9-13)16-14-6-4-5-7-15(14)17-12(2)18-16/h1,13H,4-11H2,2H3
InChIKeyPZJQFMPYHRADHH-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-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

2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
CID 133461051
N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92565018
N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461721
2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
CID 133472820
2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
2-[cyclopropylmethyl(prop-2-ynyl)amino]-5-methylbenzonitrile
CID 114016918
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838815
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58866049

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462016) is N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine is C#CCN(CC1CC1)c1nc(C)nc2c1CCCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PZJQFMPYHRADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-10-19(11-13-8-9-13)16-14-6-4-5-7-15(14)17-12(2)18-16/h1,13H,4-11H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).