4-chloro-6-methyl-5-propylpyrimidine

C8H11ClN2 — CID 22313156

IUPAC4-chloro-6-methyl-5-propylpyrimidine
SMILESCCCc1c(C)ncnc1Cl
InChIInChI=1S/C8H11ClN2/c1-3-4-7-6(2)10-5-11-8(7)9/h5H,3-4H2,1-2H3
InChIKeyVYEBMLWGSMNCMJ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.39
Rot. Bonds2

About 4-chloro-6-methyl-5-propylpyrimidine

4-chloro-6-methyl-5-propylpyrimidine (PubChem CID 22313156) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-propylpyrimidine
PubChem CID22313156
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-6-methyl-5-propylpyrimidine
SMILESCCCc1c(C)ncnc1Cl
InChIInChI=1S/C8H11ClN2/c1-3-4-7-6(2)10-5-11-8(7)9/h5H,3-4H2,1-2H3
InChIKeyVYEBMLWGSMNCMJ-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
4,5-Dichloro-6-ethylpyrimidine
CID 11137668
4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
CID 13707820
4-Chloro-6-(propan-2-yl)pyrimidine
CID 22308480
4,5,6-Trimethylpyrimidine
CID 18736669
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-6-(1,1-dimethylethyl)pyrimidine
CID 4289243
4-Chloro-6-ethylpyrimidine
CID 11137271
4-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12582969
4-Chloro-5,6-dimethylpyrimidine
CID 12600389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-propylpyrimidine (CID 22313156) is 4-chloro-6-methyl-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-propylpyrimidine is CCCc1c(C)ncnc1Cl.
What is the InChIKey of 4-chloro-6-methyl-5-propylpyrimidine?
The InChIKey is VYEBMLWGSMNCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-4-7-6(2)10-5-11-8(7)9/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-5-propylpyrimidine?
4-chloro-6-methyl-5-propylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-propylpyrimidine is sourced from PubChem (CID 22313156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).