5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C27H28N4O4 — CID 154709738

IUPAC5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1cccnc1Nc1cn(Cc2ccc(OC)cc2)c(=O)n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C27H28N4O4/c1-4-21-6-5-15-28-25(21)29-24-18-30(16-19-7-11-22(34-2)12-8-19)27(33)31(26(24)32)17-20-9-13-23(35-3)14-10-20/h5-15,18H,4,16-17H2,1-3H3,(H,28,29)
InChIKeyYHCDQEWOOIILJX-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.82
Rot. Bonds9

About 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 154709738) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID154709738
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1cccnc1Nc1cn(Cc2ccc(OC)cc2)c(=O)n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C27H28N4O4/c1-4-21-6-5-15-28-25(21)29-24-18-30(16-19-7-11-22(34-2)12-8-19)27(33)31(26(24)32)17-20-9-13-23(35-3)14-10-20/h5-15,18H,4,16-17H2,1-3H3,(H,28,29)
InChIKeyYHCDQEWOOIILJX-UHFFFAOYSA-N
XLogP3.82
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
CID 154709853
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1,3-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 143044407
5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 142787464
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861818
3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-[2-[2-(propylamino)-3-pyridinyl]ethylamino]-1,3,5-triazine-2,4-dione
CID 24861755
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801
3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569438
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 154709738) is 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is CCc1cccnc1Nc1cn(Cc2ccc(OC)cc2)c(=O)n(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is YHCDQEWOOIILJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-4-21-6-5-15-28-25(21)29-24-18-30(16-19-7-11-22(34-2)12-8-19)27(33)31(26(24)32)17-20-9-13-23(35-3)14-10-20/h5-15,18H,4,16-17H2,1-3H3,(H,28,29).
What are the key properties of 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 472.55 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 154709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).