6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

C18H20ClN5 — CID 133359214

IUPAC6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H20ClN5/c1-3-16-17(19)22-13(2)23-18(16)21-10-14-4-6-15(7-5-14)11-24-9-8-20-12-24/h4-9,12H,3,10-11H2,1-2H3,(H,21,22,23)
InChIKeyOLUQNEGQFOCLFL-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.86
Rot. Bonds6

About 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 133359214) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
PubChem CID133359214
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H20ClN5/c1-3-16-17(19)22-13(2)23-18(16)21-10-14-4-6-15(7-5-14)11-24-9-8-20-12-24/h4-9,12H,3,10-11H2,1-2H3,(H,21,22,23)
InChIKeyOLUQNEGQFOCLFL-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
CID 133371371
3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283472
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
CID 854382
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 19392239
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110916065
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 105348525
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
CID 87726327

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (CID 133359214) is 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is CCc1c(Cl)nc(C)nc1NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is OLUQNEGQFOCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-3-16-17(19)22-13(2)23-18(16)21-10-14-4-6-15(7-5-14)11-24-9-8-20-12-24/h4-9,12H,3,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 341.85 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133359214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).