4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine

C16H19ClN2O — CID 63405375

IUPAC4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-9-20-13-7-5-12(6-8-13)16-18-14(11(2)3)10-15(17)19-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyMSVHTWIRUYEUIR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.71
Rot. Bonds5

About 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine

4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine (PubChem CID 63405375) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
PubChem CID63405375
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-9-20-13-7-5-12(6-8-13)16-18-14(11(2)3)10-15(17)19-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyMSVHTWIRUYEUIR-UHFFFAOYSA-N
XLogP4.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
CID 62496941
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
CID 43557756
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557749
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
4-propan-2-yloxy-2-(4-propoxyphenyl)quinazoline
CID 46925825
4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
4-heptan-2-yl-2-(4-heptoxyphenyl)pyrimidine
CID 70441655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine (CID 63405375) is 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2nc(Cl)cc(C(C)C)n2)cc1.
What is the InChIKey of 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine?
The InChIKey is MSVHTWIRUYEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-9-20-13-7-5-12(6-8-13)16-18-14(11(2)3)10-15(17)19-16/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine?
4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 63405375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).