N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

C20H14ClFN4O — CID 66808372

IUPACN-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1cc(Cl)c(OCc2ccccc2)cc1Nc1ncnc2ncccc12
InChIInChI=1S/C20H14ClFN4O/c21-15-9-16(22)17(10-18(15)27-11-13-5-2-1-3-6-13)26-20-14-7-4-8-23-19(14)24-12-25-20/h1-10,12H,11H2,(H,23,24,25,26)
InChIKeyPOPFVGQTMPHHRE-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.14
Rot. Bonds5

About N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 66808372) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID66808372
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC NameN-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1cc(Cl)c(OCc2ccccc2)cc1Nc1ncnc2ncccc12
InChIInChI=1S/C20H14ClFN4O/c21-15-9-16(22)17(10-18(15)27-11-13-5-2-1-3-6-13)26-20-14-7-4-8-23-19(14)24-12-25-20/h1-10,12H,11H2,(H,23,24,25,26)
InChIKeyPOPFVGQTMPHHRE-UHFFFAOYSA-N
XLogP5.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-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-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 66808372) is N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is Fc1cc(Cl)c(OCc2ccccc2)cc1Nc1ncnc2ncccc12.
What is the InChIKey of N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is POPFVGQTMPHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-15-9-16(22)17(10-18(15)27-11-13-5-2-1-3-6-13)26-20-14-7-4-8-23-19(14)24-12-25-20/h1-10,12H,11H2,(H,23,24,25,26).
What are the key properties of N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 380.81 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).