2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine

C12H17N5 — CID 63109614

IUPAC2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ncccn2)[nH]1
InChIInChI=1S/C12H17N5/c1-9(2)6-13-7-10-8-16-12(17-10)11-14-4-3-5-15-11/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17)
InChIKeyCIQBKNWGEBGKTB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds5

About 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine

2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine (PubChem CID 63109614) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
PubChem CID63109614
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ncccn2)[nH]1
InChIInChI=1S/C12H17N5/c1-9(2)6-13-7-10-8-16-12(17-10)11-14-4-3-5-15-11/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17)
InChIKeyCIQBKNWGEBGKTB-UHFFFAOYSA-N
XLogP1.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109581
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66065335
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79973863
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63108691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine (CID 63109614) is 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine is CC(C)CNCc1cnc(-c2ncccn2)[nH]1.
What is the InChIKey of 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The InChIKey is CIQBKNWGEBGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)6-13-7-10-8-16-12(17-10)11-14-4-3-5-15-11/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63109614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).