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

C14H21N5 — CID 131907392

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine
SMILESCc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C14H21N5/c1-11(2)9-19-10-16-8-14(19)7-15-4-13-5-17-12(3)18-6-13/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyBZDWNBONJJELBM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.93
Rot. Bonds6

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

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine (PubChem CID 131907392) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine
PubChem CID131907392
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine
SMILESCc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C14H21N5/c1-11(2)9-19-10-16-8-14(19)7-15-4-13-5-17-12(3)18-6-13/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyBZDWNBONJJELBM-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine (CID 131907392) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine is Cc1ncc(CNCc2cncn2CC(C)C)cn1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine?
The InChIKey is BZDWNBONJJELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)9-19-10-16-8-14(19)7-15-4-13-5-17-12(3)18-6-13/h5-6,8,10-11,15H,4,7,9H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine has a molecular weight of 259.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-methylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 131907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).