[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C17H28N4 — CID 114460749

IUPAC[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2CC=C(C(C)(C)C)CC2)c(CN)n1
InChIInChI=1S/C17H28N4/c1-12(2)16-19-11-15(14(10-18)20-16)21-8-6-13(7-9-21)17(3,4)5/h6,11-12H,7-10,18H2,1-5H3
InChIKeyHVNIOEFCDWUVHC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.24
Rot. Bonds3

About [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 114460749) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID114460749
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2CC=C(C(C)(C)C)CC2)c(CN)n1
InChIInChI=1S/C17H28N4/c1-12(2)16-19-11-15(14(10-18)20-16)21-8-6-13(7-9-21)17(3,4)5/h6,11-12H,7-10,18H2,1-5H3
InChIKeyHVNIOEFCDWUVHC-UHFFFAOYSA-N
XLogP3.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62300497
[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 55059469
(1R)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929007
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 114460209
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
CID 114459794
[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methylsulfanylphenyl]methanamine
CID 114459791
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295234
(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
CID 104929024
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 114460749) is [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(N2CC=C(C(C)(C)C)CC2)c(CN)n1.
What is the InChIKey of [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is HVNIOEFCDWUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)16-19-11-15(14(10-18)20-16)21-8-6-13(7-9-21)17(3,4)5/h6,11-12H,7-10,18H2,1-5H3.
What are the key properties of [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 114460749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).