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

C15H28N4 — CID 115347172

IUPACN-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCN(C)C)nc1C
InChIInChI=1S/C15H28N4/c1-6-9-16-10-7-14-12(2)17-15(18-13(14)3)8-11-19(4)5/h16H,6-11H2,1-5H3
InChIKeyIUAMSBWGTLLKEV-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.74
Rot. Bonds8

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

N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 115347172) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID115347172
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCN(C)C)nc1C
InChIInChI=1S/C15H28N4/c1-6-9-16-10-7-14-12(2)17-15(18-13(14)3)8-11-19(4)5/h16H,6-11H2,1-5H3
InChIKeyIUAMSBWGTLLKEV-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.74
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-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 115347169
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746685
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62744407
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 115347195
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine (CID 115347172) is N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(CCN(C)C)nc1C.
What is the InChIKey of N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is IUAMSBWGTLLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-10-7-14-12(2)17-15(18-13(14)3)8-11-19(4)5/h16H,6-11H2,1-5H3.
What are the key properties of N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 115347172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).