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

C11H19N3 — CID 62757310

IUPACN-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(CCC)nc1
InChIInChI=1S/C11H19N3/c1-3-5-11-13-8-10(9-14-11)7-12-6-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyZXTLZNUCVCVCHJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds6

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

N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 62757310) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID62757310
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(CCC)nc1
InChIInChI=1S/C11H19N3/c1-3-5-11-13-8-10(9-14-11)7-12-6-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyZXTLZNUCVCVCHJ-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
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-(2-methylpropyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756597
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[[2-(propylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65129243
2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62755700
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
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
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116633397

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine (CID 62757310) is N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine is CCCNCc1cnc(CCC)nc1.
What is the InChIKey of N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is ZXTLZNUCVCVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-11-13-8-10(9-14-11)7-12-6-4-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine?
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62757310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).