N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine

C16H12F2N4 — CID 166605522

IUPACN-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1ccc([C@H]2C[C@@H]2Nc2ncnc3cnccc23)cc1F
InChIInChI=1S/C16H12F2N4/c17-12-2-1-9(5-13(12)18)11-6-14(11)22-16-10-3-4-19-7-15(10)20-8-21-16/h1-5,7-8,11,14H,6H2,(H,20,21,22)/t11-,14+/m1/s1
InChIKeyWGTKRXOHZONWNK-RISCZKNCSA-N
MW298.30 g/mol
LogP3.27
Rot. Bonds3

About N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine

N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166605522) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID166605522
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1ccc([C@H]2C[C@@H]2Nc2ncnc3cnccc23)cc1F
InChIInChI=1S/C16H12F2N4/c17-12-2-1-9(5-13(12)18)11-6-14(11)22-16-10-3-4-19-7-15(10)20-8-21-16/h1-5,7-8,11,14H,6H2,(H,20,21,22)/t11-,14+/m1/s1
InChIKeyWGTKRXOHZONWNK-RISCZKNCSA-N
XLogP3.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-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 N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine (CID 166605522) is N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine is Fc1ccc([C@H]2C[C@@H]2Nc2ncnc3cnccc23)cc1F.
What is the InChIKey of N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WGTKRXOHZONWNK-RISCZKNCSA-N. The full InChI is InChI=1S/C16H12F2N4/c17-12-2-1-9(5-13(12)18)11-6-14(11)22-16-10-3-4-19-7-15(10)20-8-21-16/h1-5,7-8,11,14H,6H2,(H,20,21,22)/t11-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 298.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166605522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).