N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine

C12H17N5 — CID 114530008

IUPACN-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
SMILESCNC(CCc1nccn1C)c1ncccn1
InChIInChI=1S/C12H17N5/c1-13-10(12-15-6-3-7-16-12)4-5-11-14-8-9-17(11)2/h3,6-10,13H,4-5H2,1-2H3
InChIKeyWDNXYQFHJJMISG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.10
Rot. Bonds5

About N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine (PubChem CID 114530008) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
PubChem CID114530008
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
SMILESCNC(CCc1nccn1C)c1ncccn1
InChIInChI=1S/C12H17N5/c1-13-10(12-15-6-3-7-16-12)4-5-11-14-8-9-17(11)2/h3,6-10,13H,4-5H2,1-2H3
InChIKeyWDNXYQFHJJMISG-UHFFFAOYSA-N
XLogP1.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 114530308
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
[3-(1-methylimidazol-2-yl)-1-(5-methylpyrimidin-2-yl)propyl]hydrazine
CID 105261604
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187661
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 105187738
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine (CID 114530008) is N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine is CNC(CCc1nccn1C)c1ncccn1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine?
The InChIKey is WDNXYQFHJJMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-13-10(12-15-6-3-7-16-12)4-5-11-14-8-9-17(11)2/h3,6-10,13H,4-5H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine is sourced from PubChem (CID 114530008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).