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

C26H31ClN8O2 — CID 59239370

IUPAC1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)C3C)cc1
InChIInChI=1S/C26H31ClN8O2/c1-4-28-26(36)30-19-7-5-18(6-8-19)23-32-22-17(3)35(25-29-16(2)15-21(27)31-25)10-9-20(22)24(33-23)34-11-13-37-14-12-34/h5-8,15,17H,4,9-14H2,1-3H3,(H2,28,30,36)
InChIKeyAFVBLDYMJMROCL-UHFFFAOYSA-N
MW523.04 g/mol
LogP4.00
Rot. Bonds5

About 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (PubChem CID 59239370) has the molecular formula C26H31ClN8O2 and a molecular weight of 523.04 g/mol. Its IUPAC name is 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
PubChem CID59239370
Molecular FormulaC26H31ClN8O2
Molecular Weight523.04 g/mol
Exact Mass522.23
IUPAC Name1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)C3C)cc1
InChIInChI=1S/C26H31ClN8O2/c1-4-28-26(36)30-19-7-5-18(6-8-19)23-32-22-17(3)35(25-29-16(2)15-21(27)31-25)10-9-20(22)24(33-23)34-11-13-37-14-12-34/h5-8,15,17H,4,9-14H2,1-3H3,(H2,28,30,36)
InChIKeyAFVBLDYMJMROCL-UHFFFAOYSA-N
XLogP4.00
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.04
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (CID 59239370) is 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)-8-methyl-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)-8-methyl-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)C3C)cc1.
What is the InChIKey of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?
The InChIKey is AFVBLDYMJMROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN8O2/c1-4-28-26(36)30-19-7-5-18(6-8-19)23-32-22-17(3)35(25-29-16(2)15-21(27)31-25)10-9-20(22)24(33-23)34-11-13-37-14-12-34/h5-8,15,17H,4,9-14H2,1-3H3,(H2,28,30,36).
What are the key properties of 1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-8-methyl-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)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea has a molecular weight of 523.04 g/mol, XLogP of 4.00, 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)-8-methyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 59239370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).