1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine

C20H32FN5 — CID 139960197

IUPAC1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(c2C)N(C2CC2)CN(N)C3)C1
InChIInChI=1S/C20H32FN5/c1-4-23-14(3)15-7-8-24(10-15)20-13(2)19-16(9-18(20)21)11-25(22)12-26(19)17-5-6-17/h9,14-15,17,23H,4-8,10-12,22H2,1-3H3/t14-,15+/m0/s1
InChIKeyZUFWSRKDQAGMPG-LSDHHAIUSA-N
MW361.51 g/mol
LogP2.57
Rot. Bonds5

About 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine

1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (PubChem CID 139960197) has the molecular formula C20H32FN5 and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
PubChem CID139960197
Molecular FormulaC20H32FN5
Molecular Weight361.51 g/mol
Exact Mass361.26
IUPAC Name1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(c2C)N(C2CC2)CN(N)C3)C1
InChIInChI=1S/C20H32FN5/c1-4-23-14(3)15-7-8-24(10-15)20-13(2)19-16(9-18(20)21)11-25(22)12-26(19)17-5-6-17/h9,14-15,17,23H,4-8,10-12,22H2,1-3H3/t14-,15+/m0/s1
InChIKeyZUFWSRKDQAGMPG-LSDHHAIUSA-N
XLogP2.57
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (CID 139960197) is 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine.
What is the SMILES notation for 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is CCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(c2C)N(C2CC2)CN(N)C3)C1.
What is the InChIKey of 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The InChIKey is ZUFWSRKDQAGMPG-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H32FN5/c1-4-23-14(3)15-7-8-24(10-15)20-13(2)19-16(9-18(20)21)11-25(22)12-26(19)17-5-6-17/h9,14-15,17,23H,4-8,10-12,22H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine has a molecular weight of 361.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[(3R)-3-[(1S)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 139960197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).