acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C17H28N4O — CID 142817671

IUPACacetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCC=O.CNc1nc(C2CC2)nc(N2CCCCCC2)c1C
InChIInChI=1S/C15H24N4.C2H4O/c1-11-13(16-2)17-14(12-7-8-12)18-15(11)19-9-5-3-4-6-10-19;1-2-3/h12H,3-10H2,1-2H3,(H,16,17,18);2H,1H3
InChIKeyHFSIUOHXNJCODC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.29
Rot. Bonds3

About acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 142817671) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Nameacetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID142817671
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Nameacetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCC=O.CNc1nc(C2CC2)nc(N2CCCCCC2)c1C
InChIInChI=1S/C15H24N4.C2H4O/c1-11-13(16-2)17-14(12-7-8-12)18-15(11)19-9-5-3-4-6-10-19;1-2-3/h12H,3-10H2,1-2H3,(H,16,17,18);2H,1H3
InChIKeyHFSIUOHXNJCODC-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80984983
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 113259067
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80985147

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 142817671) is acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CC=O.CNc1nc(C2CC2)nc(N2CCCCCC2)c1C.
What is the InChIKey of acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is HFSIUOHXNJCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.C2H4O/c1-11-13(16-2)17-14(12-7-8-12)18-15(11)19-9-5-3-4-6-10-19;1-2-3/h12H,3-10H2,1-2H3,(H,16,17,18);2H,1H3.
What are the key properties of acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 142817671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).