(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C18H29N3 — CID 25370578

IUPAC(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NCC2CC2)C1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-20-11-13-14(19-10-12-6-7-12)8-18(4,5)9-15(13)21-16/h11-12,14,19H,6-10H2,1-5H3/t14-/m0/s1
InChIKeyGXEMERWGDQMRFC-AWEZNQCLSA-N
MW287.45 g/mol
LogP3.79
Rot. Bonds3

About (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 25370578) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID25370578
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NCC2CC2)C1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-20-11-13-14(19-10-12-6-7-12)8-18(4,5)9-15(13)21-16/h11-12,14,19H,6-10H2,1-5H3/t14-/m0/s1
InChIKeyGXEMERWGDQMRFC-AWEZNQCLSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 25370578) is (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NCC2CC2)C1.
What is the InChIKey of (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is GXEMERWGDQMRFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3/c1-17(2,3)16-20-11-13-14(19-10-12-6-7-12)8-18(4,5)9-15(13)21-16/h11-12,14,19H,6-10H2,1-5H3/t14-/m0/s1.
What are the key properties of (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 287.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 25370578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).