N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C11H15N5 — CID 63002010

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2cncn2C)n1
InChIInChI=1S/C11H15N5/c1-9-14-4-3-10(15-9)5-12-6-11-7-13-8-16(11)2/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyXPYDJUXJFNKRNT-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.81
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 63002010) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID63002010
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2cncn2C)n1
InChIInChI=1S/C11H15N5/c1-9-14-4-3-10(15-9)5-12-6-11-7-13-8-16(11)2/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyXPYDJUXJFNKRNT-UHFFFAOYSA-N
XLogP0.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 63002010) is N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CNCc2cncn2C)n1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is XPYDJUXJFNKRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-14-4-3-10(15-9)5-12-6-11-7-13-8-16(11)2/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 63002010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).