6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

C32H37N5O3 — CID 143720245

IUPAC6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCNC1CCC(n2c(=O)c3cc(C)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1
InChIInChI=1S/C32H37N5O3/c1-22-18-29-30(34-20-22)36(32(39)37(31(29)38)26-12-10-25(33-2)11-13-26)27-8-5-7-23(19-27)28-9-4-3-6-24(28)21-35-14-16-40-17-15-35/h3-9,18-20,25-26,33H,10-17,21H2,1-2H3
InChIKeyXYWXBFRDLFAXSD-UHFFFAOYSA-N
MW539.68 g/mol
LogP4.06
Rot. Bonds6

About 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143720245) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143720245
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCNC1CCC(n2c(=O)c3cc(C)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1
InChIInChI=1S/C32H37N5O3/c1-22-18-29-30(34-20-22)36(32(39)37(31(29)38)26-12-10-25(33-2)11-13-26)27-8-5-7-23(19-27)28-9-4-3-6-24(28)21-35-14-16-40-17-15-35/h3-9,18-20,25-26,33H,10-17,21H2,1-2H3
InChIKeyXYWXBFRDLFAXSD-UHFFFAOYSA-N
XLogP4.06
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 143720245) is 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is CNC1CCC(n2c(=O)c3cc(C)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1.
What is the InChIKey of 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XYWXBFRDLFAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-22-18-29-30(34-20-22)36(32(39)37(31(29)38)26-12-10-25(33-2)11-13-26)27-8-5-7-23(19-27)28-9-4-3-6-24(28)21-35-14-16-40-17-15-35/h3-9,18-20,25-26,33H,10-17,21H2,1-2H3.
What are the key properties of 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 539.68 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143720245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).