2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C23H32N4O — CID 133460771

IUPAC2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC3(NC(C)c4ccccc4)CCOCC3)n1)CCCC2
InChIInChI=1S/C23H32N4O/c1-17(19-8-4-3-5-9-19)27-23(12-14-28-15-13-23)16-24-22-20-10-6-7-11-21(20)25-18(2)26-22/h3-5,8-9,17,27H,6-7,10-16H2,1-2H3,(H,24,25,26)
InChIKeyBNBKVEGBEHOBNE-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.98
Rot. Bonds6

About 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133460771) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133460771
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC3(NC(C)c4ccccc4)CCOCC3)n1)CCCC2
InChIInChI=1S/C23H32N4O/c1-17(19-8-4-3-5-9-19)27-23(12-14-28-15-13-23)16-24-22-20-10-6-7-11-21(20)25-18(2)26-22/h3-5,8-9,17,27H,6-7,10-16H2,1-2H3,(H,24,25,26)
InChIKeyBNBKVEGBEHOBNE-UHFFFAOYSA-N
XLogP3.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-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-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461264
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750
4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
CID 97089026
3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol
CID 133472427
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472475
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
2-methyl-1-[(2-methylphenyl)methyl]-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111831193
4-acetyl-2-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]benzonitrile
CID 133458105
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133460771) is 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCC3(NC(C)c4ccccc4)CCOCC3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is BNBKVEGBEHOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17(19-8-4-3-5-9-19)27-23(12-14-28-15-13-23)16-24-22-20-10-6-7-11-21(20)25-18(2)26-22/h3-5,8-9,17,27H,6-7,10-16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 380.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133460771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).