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

C18H28FN5 — CID 139960174

IUPAC7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c1N(C1CC1)CN(N)C2
InChIInChI=1S/C18H28FN5/c1-11-17-14(9-23(21)10-24(17)15-3-4-15)7-16(19)18(11)22-6-5-13(8-22)12(2)20/h7,12-13,15H,3-6,8-10,20-21H2,1-2H3/t12-,13+/m1/s1
InChIKeyWVHCWOQTGWNPSU-OLZOCXBDSA-N
MW333.46 g/mol
LogP1.92
Rot. Bonds3

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

7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (PubChem CID 139960174) has the molecular formula C18H28FN5 and a molecular weight of 333.46 g/mol. Its IUPAC name is 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
PubChem CID139960174
Molecular FormulaC18H28FN5
Molecular Weight333.46 g/mol
Exact Mass333.23
IUPAC Name7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c1N(C1CC1)CN(N)C2
InChIInChI=1S/C18H28FN5/c1-11-17-14(9-23(21)10-24(17)15-3-4-15)7-16(19)18(11)22-6-5-13(8-22)12(2)20/h7,12-13,15H,3-6,8-10,20-21H2,1-2H3/t12-,13+/m1/s1
InChIKeyWVHCWOQTGWNPSU-OLZOCXBDSA-N
XLogP1.92
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.92
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'}

Analyze 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-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-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine (CID 139960174) is 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine.
What is the SMILES notation for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is Cc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c1N(C1CC1)CN(N)C2.
What is the InChIKey of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
The InChIKey is WVHCWOQTGWNPSU-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H28FN5/c1-11-17-14(9-23(21)10-24(17)15-3-4-15)7-16(19)18(11)22-6-5-13(8-22)12(2)20/h7,12-13,15H,3-6,8-10,20-21H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine?
7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine has a molecular weight of 333.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 139960174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).