6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C21H21ClN2O3 — CID 143501880

IUPAC6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H21ClN2O3/c1-3-15-4-6-16(7-5-15)13-23-19(22)12-20(25)24(21(23)26)14-17-8-10-18(27-2)11-9-17/h4-12H,3,13-14H2,1-2H3
InChIKeyZUALUESIXYDACP-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.33
Rot. Bonds6

About 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 143501880) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID143501880
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H21ClN2O3/c1-3-15-4-6-16(7-5-15)13-23-19(22)12-20(25)24(21(23)26)14-17-8-10-18(27-2)11-9-17/h4-12H,3,13-14H2,1-2H3
InChIKeyZUALUESIXYDACP-UHFFFAOYSA-N
XLogP3.33
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
tert-butyl 1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidine-4-carboxylate
CID 150054234
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 14100173
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
tert-butyl N-[[1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]methyl]carbamate
CID 67612074
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619
4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carbonitrile
CID 152699716
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125116
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 143501880) is 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is CCc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZUALUESIXYDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-15-4-6-16(7-5-15)13-23-19(22)12-20(25)24(21(23)26)14-17-8-10-18(27-2)11-9-17/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 384.86 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 143501880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).