4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine

C9H8Cl2N4 — CID 131091988

IUPAC4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cn2ccnc2)nc1Cl
InChIInChI=1S/C9H8Cl2N4/c1-6-8(10)13-7(14-9(6)11)4-15-3-2-12-5-15/h2-3,5H,4H2,1H3
InChIKeyRYOGJVIYBZMXOE-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.34
Rot. Bonds2

About 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine

4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine (PubChem CID 131091988) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
PubChem CID131091988
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cn2ccnc2)nc1Cl
InChIInChI=1S/C9H8Cl2N4/c1-6-8(10)13-7(14-9(6)11)4-15-3-2-12-5-15/h2-3,5H,4H2,1H3
InChIKeyRYOGJVIYBZMXOE-UHFFFAOYSA-N
XLogP2.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
CID 53322953
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[(1-methylnaphthalen-2-yl)methyl]imidazole
CID 172812085
4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole
CID 22285692
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
CID 80978084
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 3057018
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
CID 1488034
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]imidazole
CID 102363409
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
ethyl 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-ynoate
CID 122647656

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine (CID 131091988) is 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine is Cc1c(Cl)nc(Cn2ccnc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine?
The InChIKey is RYOGJVIYBZMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c1-6-8(10)13-7(14-9(6)11)4-15-3-2-12-5-15/h2-3,5H,4H2,1H3.
What are the key properties of 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine?
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine has a molecular weight of 243.10 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine is sourced from PubChem (CID 131091988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).