7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine

C20H32FN5O — CID 67012165

IUPAC7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCOC[C@H](N)[C@H]1CN(c2c(F)cc3c(c2C)N(C2CC2)CN(N)C3)C[C@H]1C
InChIInChI=1S/C20H32FN5O/c1-12-7-24(9-16(12)18(22)10-27-3)20-13(2)19-14(6-17(20)21)8-25(23)11-26(19)15-4-5-15/h6,12,15-16,18H,4-5,7-11,22-23H2,1-3H3/t12-,16+,18+/m1/s1
InChIKeyCUVBPHJVOKNTEK-PUECVXPYSA-N
MW377.51 g/mol
LogP1.80
Rot. Bonds5

About 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine

7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (PubChem CID 67012165) has the molecular formula C20H32FN5O and a molecular weight of 377.51 g/mol. Its IUPAC name is 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
PubChem CID67012165
Molecular FormulaC20H32FN5O
Molecular Weight377.51 g/mol
Exact Mass377.26
IUPAC Name7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCOC[C@H](N)[C@H]1CN(c2c(F)cc3c(c2C)N(C2CC2)CN(N)C3)C[C@H]1C
InChIInChI=1S/C20H32FN5O/c1-12-7-24(9-16(12)18(22)10-27-3)20-13(2)19-14(6-17(20)21)8-25(23)11-26(19)15-4-5-15/h6,12,15-16,18H,4-5,7-11,22-23H2,1-3H3/t12-,16+,18+/m1/s1
InChIKeyCUVBPHJVOKNTEK-PUECVXPYSA-N
XLogP1.80
TPSA70.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-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 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (CID 67012165) is 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-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-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is COC[C@H](N)[C@H]1CN(c2c(F)cc3c(c2C)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-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The InChIKey is CUVBPHJVOKNTEK-PUECVXPYSA-N. The full InChI is InChI=1S/C20H32FN5O/c1-12-7-24(9-16(12)18(22)10-27-3)20-13(2)19-14(6-17(20)21)8-25(23)11-26(19)15-4-5-15/h6,12,15-16,18H,4-5,7-11,22-23H2,1-3H3/t12-,16+,18+/m1/s1.
What are the key properties of 7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
7-[(3R,4S)-3-[(1R)-1-amino-2-methoxyethyl]-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine has a molecular weight of 377.51 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 67012165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).