[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine

C8H14N4 — CID 79089467

IUPAC[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
SMILESCN(C)Cc1nccc(CN)n1
InChIInChI=1S/C8H14N4/c1-12(2)6-8-10-4-3-7(5-9)11-8/h3-4H,5-6,9H2,1-2H3
InChIKeySLQNEOAVOAWZBF-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.00
Rot. Bonds3

About [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine

[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine (PubChem CID 79089467) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
PubChem CID79089467
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
SMILESCN(C)Cc1nccc(CN)n1
InChIInChI=1S/C8H14N4/c1-12(2)6-8-10-4-3-7(5-9)11-8/h3-4H,5-6,9H2,1-2H3
InChIKeySLQNEOAVOAWZBF-UHFFFAOYSA-N
XLogP-0.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine (CID 79089467) is [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine is CN(C)Cc1nccc(CN)n1.
What is the InChIKey of [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine?
The InChIKey is SLQNEOAVOAWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12(2)6-8-10-4-3-7(5-9)11-8/h3-4H,5-6,9H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine?
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine has a molecular weight of 166.23 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 79089467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).