4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C23H22N6O2 — CID 168922588

IUPAC4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cnc(-c2cccc(C)c2)nc1-c1nc(N2CCOCC2)c2ncccc2n1
InChIInChI=1S/C23H22N6O2/c1-15-5-3-6-16(13-15)21-25-14-18(30-2)20(27-21)22-26-17-7-4-8-24-19(17)23(28-22)29-9-11-31-12-10-29/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFIXQEJFWPPASTN-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.30
Rot. Bonds4

About 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 168922588) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID168922588
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cnc(-c2cccc(C)c2)nc1-c1nc(N2CCOCC2)c2ncccc2n1
InChIInChI=1S/C23H22N6O2/c1-15-5-3-6-16(13-15)21-25-14-18(30-2)20(27-21)22-26-17-7-4-8-24-19(17)23(28-22)29-9-11-31-12-10-29/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFIXQEJFWPPASTN-UHFFFAOYSA-N
XLogP3.30
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 168922588) is 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COc1cnc(-c2cccc(C)c2)nc1-c1nc(N2CCOCC2)c2ncccc2n1.
What is the InChIKey of 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is FIXQEJFWPPASTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-5-3-6-16(13-15)21-25-14-18(30-2)20(27-21)22-26-17-7-4-8-24-19(17)23(28-22)29-9-11-31-12-10-29/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 414.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 168922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).