4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine

C14H14Cl2N2 — CID 113324741

IUPAC4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-3-4-11-13(17-8-18-14(11)16)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3
InChIKeyUXXVIBOFCATYDU-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.71
Rot. Bonds3

About 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine

4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine (PubChem CID 113324741) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
PubChem CID113324741
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-3-4-11-13(17-8-18-14(11)16)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3
InChIKeyUXXVIBOFCATYDU-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405718
4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine
CID 170985404
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
CID 115504339
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine (CID 113324741) is 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine is CCCc1c(Cl)ncnc1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine?
The InChIKey is UXXVIBOFCATYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-3-4-11-13(17-8-18-14(11)16)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine?
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine is sourced from PubChem (CID 113324741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).