N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine

C12H15N5 — CID 82903364

IUPACN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1cncc1-c1nccc(CNC2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyJHFSHIISNUPMSB-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.13
Rot. Bonds4

About N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 82903364) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID82903364
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1cncc1-c1nccc(CNC2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyJHFSHIISNUPMSB-UHFFFAOYSA-N
XLogP1.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
6-methyl-4-N-[3-(2-nitroimidazol-1-yl)propyl]pyrimidine-2,4-diamine;hydrochloride
CID 56851069
N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine
CID 10012717
2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
6-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-2-propylpyrimidin-4-amine
CID 50965065
N~4~-[2-(1H-imidazol-4-yl)ethyl]-N~2~,N~2~,5,6-tetramethylpyrimidine-2,4-diamine
CID 50971148

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 82903364) is N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine is Cn1cncc1-c1nccc(CNC2CC2)n1.
What is the InChIKey of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is JHFSHIISNUPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 229.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82903364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).