7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine

C20H33N5O2 — CID 139960191

IUPAC7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine
SMILESCOC[C@H](N)[C@H]1CN(c2ccc3c(c2OC)N(C2CC2)CN(N)C3)C[C@H]1C
InChIInChI=1S/C20H33N5O2/c1-13-8-23(10-16(13)17(21)11-26-2)18-7-4-14-9-24(22)12-25(15-5-6-15)19(14)20(18)27-3/h4,7,13,15-17H,5-6,8-12,21-22H2,1-3H3/t13-,16+,17+/m1/s1
InChIKeyPMDFGYSFFOYJRO-COXVUDFISA-N
MW375.52 g/mol
LogP1.36
Rot. Bonds6

About 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine

7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine (PubChem CID 139960191) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine
PubChem CID139960191
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine
SMILESCOC[C@H](N)[C@H]1CN(c2ccc3c(c2OC)N(C2CC2)CN(N)C3)C[C@H]1C
InChIInChI=1S/C20H33N5O2/c1-13-8-23(10-16(13)17(21)11-26-2)18-7-4-14-9-24(22)12-25(15-5-6-15)19(14)20(18)27-3/h4,7,13,15-17H,5-6,8-12,21-22H2,1-3H3/t13-,16+,17+/m1/s1
InChIKeyPMDFGYSFFOYJRO-COXVUDFISA-N
XLogP1.36
TPSA80.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

7-[(3R,4R)-3-[(1S)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
CID 139960206
7-[(3R,4S)-3-[(1R)-1-amino-2-ethoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine
CID 69157674
3-amino-7-[(3R,4S)-3-[(1S)-1-amino-3-methoxypropyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione
CID 69076389
7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960231
7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
CID 67012870
7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960247
3-amino-7-[4-[(1S)-1-amino-2-methoxyethyl]-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxyquinazoline-2,4-dione
CID 69091782
3-amino-7-[(3R,4S)-3-[(1S)-1-amino-3-methoxypropyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 67014144
7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
CID 139960171
3-amino-7-[4-[(1S)-1-amino-2-methoxyethyl]-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 69073160
3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 67013818
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine (CID 139960191) is 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine.
What is the SMILES notation for 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine is COC[C@H](N)[C@H]1CN(c2ccc3c(c2OC)N(C2CC2)CN(N)C3)C[C@H]1C.
What is the InChIKey of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine?
The InChIKey is PMDFGYSFFOYJRO-COXVUDFISA-N. The full InChI is InChI=1S/C20H33N5O2/c1-13-8-23(10-16(13)17(21)11-26-2)18-7-4-14-9-24(22)12-25(15-5-6-15)19(14)20(18)27-3/h4,7,13,15-17H,5-6,8-12,21-22H2,1-3H3/t13-,16+,17+/m1/s1.
What are the key properties of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine?
7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine has a molecular weight of 375.52 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 139960191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).