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

C18H29N3 — CID 25370573

IUPAC(5R)-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-/m1/s1
InChIKeyGXEMERWGDQMRFC-CQSZACIVSA-N
MW287.45 g/mol
LogP3.79
Rot. Bonds3

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

(5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 25370573) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name(5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID25370573
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(5R)-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-/m1/s1
InChIKeyGXEMERWGDQMRFC-CQSZACIVSA-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 (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Related Compounds

2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
CID 45229198
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
CID 154898148
2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 64985716
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97150544
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
CID 72905511
N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 26403155
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
CID 97142240
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 65128118

Frequently Asked Questions

What is the IUPAC name of (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 25370573) is (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for (5R)-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 (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is GXEMERWGDQMRFC-CQSZACIVSA-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-/m1/s1.
What are the key properties of (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
(5R)-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 (5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 25370573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).