4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine

C23H25ClN2O4 — CID 59184713

IUPAC4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
SMILESCOc1ccc(COc2nc(Cl)c(C(C)C)c(OCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(2)20-21(24)25-23(30-14-17-7-11-19(28-4)12-8-17)26-22(20)29-13-16-5-9-18(27-3)10-6-16/h5-12,15H,13-14H2,1-4H3
InChIKeyTYMCOHMVPWVYMA-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.43
Rot. Bonds9

About 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine

4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine (PubChem CID 59184713) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
PubChem CID59184713
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
SMILESCOc1ccc(COc2nc(Cl)c(C(C)C)c(OCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(2)20-21(24)25-23(30-14-17-7-11-19(28-4)12-8-17)26-22(20)29-13-16-5-9-18(27-3)10-6-16/h5-12,15H,13-14H2,1-4H3
InChIKeyTYMCOHMVPWVYMA-UHFFFAOYSA-N
XLogP5.43
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
CID 59686866
3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
CID 170793879
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
CID 66572971
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
[5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxalin-2-yl]hydrazine
CID 66573079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine (CID 59184713) is 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine is COc1ccc(COc2nc(Cl)c(C(C)C)c(OCc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine?
The InChIKey is TYMCOHMVPWVYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-15(2)20-21(24)25-23(30-14-17-7-11-19(28-4)12-8-17)26-22(20)29-13-16-5-9-18(27-3)10-6-16/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine?
4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine has a molecular weight of 428.92 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 59184713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).