N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

C13H22N4 — CID 62592327

IUPACN-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cc(C)ncn1
InChIInChI=1S/C13H22N4/c1-3-6-14-9-12-5-4-7-17(12)13-8-11(2)15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyAWDQBBRPMJKWNN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 62592327) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID62592327
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cc(C)ncn1
InChIInChI=1S/C13H22N4/c1-3-6-14-9-12-5-4-7-17(12)13-8-11(2)15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyAWDQBBRPMJKWNN-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992
4-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 129348905
4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 126792369
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 63586483
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377107
N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 102687184
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62592858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 62592327) is N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1c1cc(C)ncn1.
What is the InChIKey of N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is AWDQBBRPMJKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-6-14-9-12-5-4-7-17(12)13-8-11(2)15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62592327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).