N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine

C17H32N4 — CID 115347169

IUPACN-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(CCN(C)C)nc(C)c1CCCNCC(C)C
InChIInChI=1S/C17H32N4/c1-13(2)12-18-10-7-8-16-14(3)19-17(20-15(16)4)9-11-21(5)6/h13,18H,7-12H2,1-6H3
InChIKeyOCLBCMCVWPDFQX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.38
Rot. Bonds9

About N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine

N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine (PubChem CID 115347169) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
PubChem CID115347169
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(CCN(C)C)nc(C)c1CCCNCC(C)C
InChIInChI=1S/C17H32N4/c1-13(2)12-18-10-7-8-16-14(3)19-17(20-15(16)4)9-11-21(5)6/h13,18H,7-12H2,1-6H3
InChIKeyOCLBCMCVWPDFQX-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine (CID 115347169) is N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine is Cc1nc(CCN(C)C)nc(C)c1CCCNCC(C)C.
What is the InChIKey of N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is OCLBCMCVWPDFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)12-18-10-7-8-16-14(3)19-17(20-15(16)4)9-11-21(5)6/h13,18H,7-12H2,1-6H3.
What are the key properties of N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115347169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).