1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine

C14H21N5O — CID 131929830

IUPAC1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
SMILESCOc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-11(2)9-19-10-16-8-13(19)7-15-4-12-5-17-14(20-3)18-6-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyHKOZJFJAILSLLV-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine

1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine (PubChem CID 131929830) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
PubChem CID131929830
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
SMILESCOc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-11(2)9-19-10-16-8-13(19)7-15-4-12-5-17-14(20-3)18-6-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyHKOZJFJAILSLLV-UHFFFAOYSA-N
XLogP1.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929926
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66129481
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 95883066
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine (CID 131929830) is 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine is COc1ncc(CNCc2cncn2CC(C)C)cn1.
What is the InChIKey of 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine?
The InChIKey is HKOZJFJAILSLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)9-19-10-16-8-13(19)7-15-4-12-5-17-14(20-3)18-6-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3.
What are the key properties of 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine?
1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine is sourced from PubChem (CID 131929830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).