4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine

C15H12Cl2N4O2 — CID 87134636

IUPAC4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1
InChIInChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H
InChIKeySHRLDXCWYYXKDQ-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.06
Rot. Bonds3

About 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine

4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine (PubChem CID 87134636) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
PubChem CID87134636
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1
InChIInChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H
InChIKeySHRLDXCWYYXKDQ-UHFFFAOYSA-N
XLogP4.06
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701
4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
CID 59532567
4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
CID 156768151
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632
3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine
CID 141062507
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
CID 59532565
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine (CID 87134636) is 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine is COc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
The InChIKey is SHRLDXCWYYXKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2.C4H4N2/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13;1-2-5-4-6-3-1/h2-6H,1H3;1-4H.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine?
4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine has a molecular weight of 351.19 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine is sourced from PubChem (CID 87134636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).