4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine

C9H9ClN4 — CID 105371332

IUPAC4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine
SMILESCn1ccnc1Cc1cncnc1Cl
InChIInChI=1S/C9H9ClN4/c1-14-3-2-12-8(14)4-7-5-11-6-13-9(7)10/h2-3,5-6H,4H2,1H3
InChIKeyIVDAQDNELADLQZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.45
Rot. Bonds2

About 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine

4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine (PubChem CID 105371332) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine
PubChem CID105371332
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine
SMILESCn1ccnc1Cc1cncnc1Cl
InChIInChI=1S/C9H9ClN4/c1-14-3-2-12-8(14)4-7-5-11-6-13-9(7)10/h2-3,5-6H,4H2,1H3
InChIKeyIVDAQDNELADLQZ-UHFFFAOYSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 66342594
5-[(1-methylimidazol-2-yl)methyl]pyridin-3-ol
CID 83130464
4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole
CID 79738925
N-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 79737861
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(fluoromethyl)-1-methylimidazole
CID 11679811
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63294100
2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine
CID 79738250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The IUPAC name of 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine (CID 105371332) is 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine is Cn1ccnc1Cc1cncnc1Cl.
What is the InChIKey of 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The InChIKey is IVDAQDNELADLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-3-2-12-8(14)4-7-5-11-6-13-9(7)10/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine?
4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine is sourced from PubChem (CID 105371332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).