4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

C28H32N6O5 — CID 58784359

IUPAC4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(=O)NCCN4CCOCC4)c3)ncn2)c1
InChIInChI=1S/C28H32N6O5/c1-38-23-7-3-5-21(15-23)18-31-28(37)25-16-24(32-19-33-25)27(36)30-17-20-4-2-6-22(14-20)26(35)29-8-9-34-10-12-39-13-11-34/h2-7,14-16,19H,8-13,17-18H2,1H3,(H,29,35)(H,30,36)(H,31,37)
InChIKeySFHVGCSALYNZOI-UHFFFAOYSA-N
MW532.60 g/mol
LogP1.41
Rot. Bonds11

About 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 58784359) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
PubChem CID58784359
Molecular FormulaC28H32N6O5
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC Name4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(=O)NCCN4CCOCC4)c3)ncn2)c1
InChIInChI=1S/C28H32N6O5/c1-38-23-7-3-5-21(15-23)18-31-28(37)25-16-24(32-19-33-25)27(36)30-17-20-4-2-6-22(14-20)26(35)29-8-9-34-10-12-39-13-11-34/h2-7,14-16,19H,8-13,17-18H2,1H3,(H,29,35)(H,30,36)(H,31,37)
InChIKeySFHVGCSALYNZOI-UHFFFAOYSA-N
XLogP1.41
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58784346
3-methoxy-2-[(3-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 146497389
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
5-N-(3-methoxyphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104239
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (CID 58784359) is 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is COc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(=O)NCCN4CCOCC4)c3)ncn2)c1.
What is the InChIKey of 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is SFHVGCSALYNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-38-23-7-3-5-21(15-23)18-31-28(37)25-16-24(32-19-33-25)27(36)30-17-20-4-2-6-22(14-20)26(35)29-8-9-34-10-12-39-13-11-34/h2-7,14-16,19H,8-13,17-18H2,1H3,(H,29,35)(H,30,36)(H,31,37).
What are the key properties of 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 532.60 g/mol, XLogP of 1.41, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58784359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).