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

C16H19ClN2O — CID 80946367

IUPAC4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-5-16-18-14(10-15(17)19-16)12-6-8-13(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3
InChIKeyYHMRHYPSEBPKSE-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.54
Rot. Bonds5

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

4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine (PubChem CID 80946367) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
PubChem CID80946367
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-5-16-18-14(10-15(17)19-16)12-6-8-13(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3
InChIKeyYHMRHYPSEBPKSE-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine
CID 80945258
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
CID 80946541
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
5-bromo-4-chloro-2-(4-propan-2-yloxyphenyl)-6-propylpyrimidine
CID 66312237
6-(4-chloro-3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80945813
2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
CID 90118179
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine (CID 80946367) is 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine?
The InChIKey is YHMRHYPSEBPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-5-16-18-14(10-15(17)19-16)12-6-8-13(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine?
4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.54, 5 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)-2-propylpyrimidine is sourced from PubChem (CID 80946367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).