N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine

C14H25N3 — CID 62745813

IUPACN-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCC)nc1C
InChIInChI=1S/C14H25N3/c1-5-7-14-16-11(3)13(12(4)17-14)8-10-15-9-6-2/h15H,5-10H2,1-4H3
InChIKeyJISORGBVWUCIQM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine

N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine (PubChem CID 62745813) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
PubChem CID62745813
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCC)nc1C
InChIInChI=1S/C14H25N3/c1-5-7-14-16-11(3)13(12(4)17-14)8-10-15-9-6-2/h15H,5-10H2,1-4H3
InChIKeyJISORGBVWUCIQM-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine (CID 62745813) is N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine is CCCNCCc1c(C)nc(CCC)nc1C.
What is the InChIKey of N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine?
The InChIKey is JISORGBVWUCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-14-16-11(3)13(12(4)17-14)8-10-15-9-6-2/h15H,5-10H2,1-4H3.
What are the key properties of N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine?
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).