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

C17H31N3 — CID 63718002

IUPACN-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine
SMILESCCC(C)c1nc(C)c(CCCNC(C)(C)C)c(C)n1
InChIInChI=1S/C17H31N3/c1-8-12(2)16-19-13(3)15(14(4)20-16)10-9-11-18-17(5,6)7/h12,18H,8-11H2,1-7H3
InChIKeyJGJDWHMXRIKWHN-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.93
Rot. Bonds6

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

N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine (PubChem CID 63718002) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine
PubChem CID63718002
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine
SMILESCCC(C)c1nc(C)c(CCCNC(C)(C)C)c(C)n1
InChIInChI=1S/C17H31N3/c1-8-12(2)16-19-13(3)15(14(4)20-16)10-9-11-18-17(5,6)7/h12,18H,8-11H2,1-7H3
InChIKeyJGJDWHMXRIKWHN-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.93
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

3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55230371
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 116731705
2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
CID 62313435
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731610
3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 79605208
N-[2-[4,6-diethyl-2-(2-methylpropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79220574
2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 62914200
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine (CID 63718002) is N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine is CCC(C)c1nc(C)c(CCCNC(C)(C)C)c(C)n1.
What is the InChIKey of N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is JGJDWHMXRIKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-8-12(2)16-19-13(3)15(14(4)20-16)10-9-11-18-17(5,6)7/h12,18H,8-11H2,1-7H3.
What are the key properties of N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine?
N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63718002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).