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

C20H19ClN2O4 — CID 57423840

IUPAC6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O4/c1-26-16-7-3-14(4-8-16)12-22-18(21)11-19(24)23(20(22)25)13-15-5-9-17(27-2)10-6-15/h3-11H,12-13H2,1-2H3
InChIKeyZVTRAHWHKCHEHN-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.78
Rot. Bonds6

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

6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 57423840) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID57423840
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O4/c1-26-16-7-3-14(4-8-16)12-22-18(21)11-19(24)23(20(22)25)13-15-5-9-17(27-2)10-6-15/h3-11H,12-13H2,1-2H3
InChIKeyZVTRAHWHKCHEHN-UHFFFAOYSA-N
XLogP2.78
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
tert-butyl 1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidine-4-carboxylate
CID 150054234
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
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 14100173
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
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
4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125116
2-[2-[[3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]ethyl]guanidine
CID 91084536
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-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 57423840) is 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(Cl)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZVTRAHWHKCHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-26-16-7-3-14(4-8-16)12-22-18(21)11-19(24)23(20(22)25)13-15-5-9-17(27-2)10-6-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 386.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 57423840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).