7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine

C19H30FN5 — CID 139960190

IUPAC7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCc1c(N2C[C@H](F)[C@@H](C(C)(C)N)C2)ccc2c1N(C1CC1)CN(N)C2
InChIInChI=1S/C19H30FN5/c1-12-17(23-9-15(16(20)10-23)19(2,3)21)7-4-13-8-24(22)11-25(18(12)13)14-5-6-14/h4,7,14-16H,5-6,8-11,21-22H2,1-3H3/t15-,16-/m0/s1
InChIKeyRQUXVHUTFLLUCN-HOTGVXAUSA-N
MW347.48 g/mol
LogP2.12
Rot. Bonds3

About 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine

7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine (PubChem CID 139960190) has the molecular formula C19H30FN5 and a molecular weight of 347.48 g/mol. Its IUPAC name is 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine
PubChem CID139960190
Molecular FormulaC19H30FN5
Molecular Weight347.48 g/mol
Exact Mass347.25
IUPAC Name7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine
SMILESCc1c(N2C[C@H](F)[C@@H](C(C)(C)N)C2)ccc2c1N(C1CC1)CN(N)C2
InChIInChI=1S/C19H30FN5/c1-12-17(23-9-15(16(20)10-23)19(2,3)21)7-4-13-8-24(22)11-25(18(12)13)14-5-6-14/h4,7,14-16H,5-6,8-11,21-22H2,1-3H3/t15-,16-/m0/s1
InChIKeyRQUXVHUTFLLUCN-HOTGVXAUSA-N
XLogP2.12
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.12
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-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-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,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine (CID 139960190) is 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine.
What is the SMILES notation for 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine is Cc1c(N2C[C@H](F)[C@@H](C(C)(C)N)C2)ccc2c1N(C1CC1)CN(N)C2.
What is the InChIKey of 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine?
The InChIKey is RQUXVHUTFLLUCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H30FN5/c1-12-17(23-9-15(16(20)10-23)19(2,3)21)7-4-13-8-24(22)11-25(18(12)13)14-5-6-14/h4,7,14-16H,5-6,8-11,21-22H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine?
7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine has a molecular weight of 347.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4R)-3-(2-aminopropan-2-yl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 139960190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).