4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine

C13H13ClN2O — CID 24902044

IUPAC4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(2)17-11-5-3-10(4-6-11)12-7-13(14)16-8-15-12/h3-9H,1-2H3
InChIKeyIRCMQYBNTRZOHA-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine

4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine (PubChem CID 24902044) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
PubChem CID24902044
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(2)17-11-5-3-10(4-6-11)12-7-13(14)16-8-15-12/h3-9H,1-2H3
InChIKeyIRCMQYBNTRZOHA-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
CID 80946367
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
CID 90118179
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
CID 117001819
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine (CID 24902044) is 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1ccc(-c2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is IRCMQYBNTRZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(2)17-11-5-3-10(4-6-11)12-7-13(14)16-8-15-12/h3-9H,1-2H3.
What are the key properties of 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine?
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 24902044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).