N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine

C9H15N3 — CID 60976157

IUPACN-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C)nc1
InChIInChI=1S/C9H15N3/c1-3-4-10-5-9-6-11-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyFBVOPTKABHMYNI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.28
Rot. Bonds4

About N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine

N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 60976157) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID60976157
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C)nc1
InChIInChI=1S/C9H15N3/c1-3-4-10-5-9-6-11-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyFBVOPTKABHMYNI-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[2-(propylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65129243
N-[[2-(2-methylpropyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756597
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116633397
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
N-[(2-methylpyrimidin-5-yl)methyl]but-2-yn-1-amine
CID 130702361
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026
N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651243
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
N-[[2-[(4-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 66065134

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine (CID 60976157) is N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine is CCCNCc1cnc(C)nc1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is FBVOPTKABHMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-10-5-9-6-11-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine?
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 60976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).