N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine

C13H22N4 — CID 114216063

IUPACN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cncnc1N1CCC(C)C1
InChIInChI=1S/C13H22N4/c1-3-5-14-7-12-8-15-10-16-13(12)17-6-4-11(2)9-17/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyCMVXWZPTKNNYQR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.82
Rot. Bonds5

About N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 114216063) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID114216063
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cncnc1N1CCC(C)C1
InChIInChI=1S/C13H22N4/c1-3-5-14-7-12-8-15-10-16-13(12)17-6-4-11(2)9-17/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyCMVXWZPTKNNYQR-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216062
[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol
CID 28905138
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
CID 114216020
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216558
[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
CID 114215102
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 114216063) is N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cncnc1N1CCC(C)C1.
What is the InChIKey of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is CMVXWZPTKNNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-5-14-7-12-8-15-10-16-13(12)17-6-4-11(2)9-17/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114216063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).