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

C13H21N3 — CID 64986163

IUPACN-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(C2CCC2)n1
InChIInChI=1S/C13H21N3/c1-3-7-14-9-12-8-10(2)15-13(16-12)11-5-4-6-11/h8,11,14H,3-7,9H2,1-2H3
InChIKeyIPNBDPQDIPMIJX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds5

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

N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 64986163) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID64986163
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(C2CCC2)n1
InChIInChI=1S/C13H21N3/c1-3-7-14-9-12-8-10(2)15-13(16-12)11-5-4-6-11/h8,11,14H,3-7,9H2,1-2H3
InChIKeyIPNBDPQDIPMIJX-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
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-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
N-[[6-methyl-2-(thiolan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 80637388
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 62745005
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 64986210
N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65415249
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
[6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-yl]methanol
CID 65403208

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 64986163) is N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C)nc(C2CCC2)n1.
What is the InChIKey of N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is IPNBDPQDIPMIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-7-14-9-12-8-10(2)15-13(16-12)11-5-4-6-11/h8,11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 64986163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).