1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

C25H29ClN8O2 — CID 59239429

IUPAC1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(Cl)n2)C3)cc1
InChIInChI=1S/C25H29ClN8O2/c1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(24-28-16(2)14-21(26)31-24)9-8-19(20)23(32-22)33-10-12-36-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H2,27,29,35)
InChIKeyUZFVWZYRRJUBSN-UHFFFAOYSA-N
MW509.01 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (PubChem CID 59239429) has the molecular formula C25H29ClN8O2 and a molecular weight of 509.01 g/mol. Its IUPAC name is 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
PubChem CID59239429
Molecular FormulaC25H29ClN8O2
Molecular Weight509.01 g/mol
Exact Mass508.21
IUPAC Name1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(Cl)n2)C3)cc1
InChIInChI=1S/C25H29ClN8O2/c1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(24-28-16(2)14-21(26)31-24)9-8-19(20)23(32-22)33-10-12-36-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H2,27,29,35)
InChIKeyUZFVWZYRRJUBSN-UHFFFAOYSA-N
XLogP3.44
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.01
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea 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 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?
The IUPAC name of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (CID 59239429) is 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(Cl)n2)C3)cc1.
What is the InChIKey of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?
The InChIKey is UZFVWZYRRJUBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN8O2/c1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(24-28-16(2)14-21(26)31-24)9-8-19(20)23(32-22)33-10-12-36-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H2,27,29,35).
What are the key properties of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?
1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea has a molecular weight of 509.01 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 59239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).