4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine

C14H19ClN4 — CID 80945789

IUPAC4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
SMILESCCCc1nc(Cl)cc(Cc2nccn2CCC)n1
InChIInChI=1S/C14H19ClN4/c1-3-5-13-17-11(9-12(15)18-13)10-14-16-6-8-19(14)7-4-2/h6,8-9H,3-5,7,10H2,1-2H3
InChIKeyKMNYFRVEHKTNDM-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.28
Rot. Bonds6

About 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine

4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine (PubChem CID 80945789) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
PubChem CID80945789
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
SMILESCCCc1nc(Cl)cc(Cc2nccn2CCC)n1
InChIInChI=1S/C14H19ClN4/c1-3-5-13-17-11(9-12(15)18-13)10-14-16-6-8-19(14)7-4-2/h6,8-9H,3-5,7,10H2,1-2H3
InChIKeyKMNYFRVEHKTNDM-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769668
4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
CID 80936041
N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952651
2-chloro-1-propylimidazole
CID 142765750
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
3-chloro-5-[(1-propylimidazol-2-yl)methyl]benzoic acid
CID 114020606
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine?
The IUPAC name of 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine (CID 80945789) is 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine is CCCc1nc(Cl)cc(Cc2nccn2CCC)n1.
What is the InChIKey of 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine?
The InChIKey is KMNYFRVEHKTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-5-13-17-11(9-12(15)18-13)10-14-16-6-8-19(14)7-4-2/h6,8-9H,3-5,7,10H2,1-2H3.
What are the key properties of 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine?
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine has a molecular weight of 278.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine is sourced from PubChem (CID 80945789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).