5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine

C12H16ClN5 — CID 132421530

IUPAC5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine
SMILESCC(C)CN1C=NC=C1CNC2=NC=C(C=N2)Cl
InChIInChI=1S/C12H16ClN5/c1-9(2)7-18-8-14-5-11(18)6-17-12-15-3-10(13)4-16-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyHOLYXRDEZFHDRJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.00
Rot. Bonds5

About 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine

5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine (PubChem CID 132421530) has the molecular formula C12H16ClN5 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine
PubChem CID132421530
Molecular FormulaC12H16ClN5
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Name5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine
SMILESCC(C)CN1C=NC=C1CNC2=NC=C(C=N2)Cl
InChIInChI=1S/C12H16ClN5/c1-9(2)7-18-8-14-5-11(18)6-17-12-15-3-10(13)4-16-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyHOLYXRDEZFHDRJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity243

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 59728203
4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
CID 24945908
6-Chloroimidazo[1,5-a]pyrazine
CID 130847064
6-chloro-N~4~-[3-(1H-imidazol-1-yl)propyl]pyrimidine-4,5-diamine
CID 3926471
(6-Methylimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 55266767
5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
CID 71996281
N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 75442089
5-chloro-2-(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)pyrimidine
CID 119103606
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine
CID 131907392
1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929830
2-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 132408526
2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
CID 59728220

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine (CID 132421530) is 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine is CC(C)CN1C=NC=C1CNC2=NC=C(C=N2)Cl.
What is the InChIKey of 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is HOLYXRDEZFHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-9(2)7-18-8-14-5-11(18)6-17-12-15-3-10(13)4-16-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine?
5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 265.74 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 132421530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).