(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine

C23H30N6 — CID 26407119

IUPAC(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine
SMILESCN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NCc1cnn(C)c1
InChIInChI=1S/C23H30N6/c1-23(2)10-20(24-12-18-13-26-29(4)16-18)19-14-25-22(27-21(19)11-23)28(3)15-17-8-6-5-7-9-17/h5-9,13-14,16,20,24H,10-12,15H2,1-4H3/t20-/m0/s1
InChIKeyWPEPSWQVFJBDRK-FQEVSTJZSA-N
MW390.54 g/mol
LogP3.65
Rot. Bonds6

About (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine

(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine (PubChem CID 26407119) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine.

Molecular Properties

Compound Name(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine
PubChem CID26407119
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine
SMILESCN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NCc1cnn(C)c1
InChIInChI=1S/C23H30N6/c1-23(2)10-20(24-12-18-13-26-29(4)16-18)19-14-25-22(27-21(19)11-23)28(3)15-17-8-6-5-7-9-17/h5-9,13-14,16,20,24H,10-12,15H2,1-4H3/t20-/m0/s1
InChIKeyWPEPSWQVFJBDRK-FQEVSTJZSA-N
XLogP3.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine with MolForge

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Related Compounds

N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 97124510
N-[(5S)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97123124
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701041
(5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
CID 42346063
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393
2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 106662388
N-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61348494
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633

Frequently Asked Questions

What is the IUPAC name of (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine?
The IUPAC name of (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine (CID 26407119) is (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine.
What is the SMILES notation for (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine?
The canonical SMILES for (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine is CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NCc1cnn(C)c1.
What is the InChIKey of (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine?
The InChIKey is WPEPSWQVFJBDRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N6/c1-23(2)10-20(24-12-18-13-26-29(4)16-18)19-14-25-22(27-21(19)11-23)28(3)15-17-8-6-5-7-9-17/h5-9,13-14,16,20,24H,10-12,15H2,1-4H3/t20-/m0/s1.
What are the key properties of (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine?
(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine has a molecular weight of 390.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine is sourced from PubChem (CID 26407119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).