N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine

C27H31N5O — CID 10114225

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine
SMILESCCc1nc2nc(Nc3ccc(OCCN(CC)CC)cc3)ncc2cc1-c1ccccc1
InChIInChI=1S/C27H31N5O/c1-4-25-24(20-10-8-7-9-11-20)18-21-19-28-27(31-26(21)30-25)29-22-12-14-23(15-13-22)33-17-16-32(5-2)6-3/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30,31)
InChIKeyIMFQWIXXLUSXRN-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.72
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine

N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 10114225) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID10114225
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine
SMILESCCc1nc2nc(Nc3ccc(OCCN(CC)CC)cc3)ncc2cc1-c1ccccc1
InChIInChI=1S/C27H31N5O/c1-4-25-24(20-10-8-7-9-11-20)18-21-19-28-27(31-26(21)30-25)29-22-12-14-23(15-13-22)33-17-16-32(5-2)6-3/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30,31)
InChIKeyIMFQWIXXLUSXRN-UHFFFAOYSA-N
XLogP5.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-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-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine (CID 10114225) is N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine is CCc1nc2nc(Nc3ccc(OCCN(CC)CC)cc3)ncc2cc1-c1ccccc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is IMFQWIXXLUSXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-4-25-24(20-10-8-7-9-11-20)18-21-19-28-27(31-26(21)30-25)29-22-12-14-23(15-13-22)33-17-16-32(5-2)6-3/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30,31).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine?
N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 441.58 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-ethyl-6-phenylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 10114225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).