1-(4-ethoxypyrimidin-5-yl)propan-2-amine

C9H15N3O — CID 83875775

IUPAC1-(4-ethoxypyrimidin-5-yl)propan-2-amine
SMILESCCOc1ncncc1CC(C)N
InChIInChI=1S/C9H15N3O/c1-3-13-9-8(4-7(2)10)5-11-6-12-9/h5-7H,3-4,10H2,1-2H3
InChIKeyLNVDNMVZQJAKML-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.76
Rot. Bonds4

About 1-(4-ethoxypyrimidin-5-yl)propan-2-amine

1-(4-ethoxypyrimidin-5-yl)propan-2-amine (PubChem CID 83875775) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(4-ethoxypyrimidin-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxypyrimidin-5-yl)propan-2-amine
PubChem CID83875775
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(4-ethoxypyrimidin-5-yl)propan-2-amine
SMILESCCOc1ncncc1CC(C)N
InChIInChI=1S/C9H15N3O/c1-3-13-9-8(4-7(2)10)5-11-6-12-9/h5-7H,3-4,10H2,1-2H3
InChIKeyLNVDNMVZQJAKML-UHFFFAOYSA-N
XLogP0.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,5-triazin-2-yl)propan-2-amine
CID 70362095
N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 114217247
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
CID 82655096
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
CID 66327001
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine
CID 174266206
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 114217110
(5-ethoxypyrimidin-4-yl)methanamine
CID 176582308

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypyrimidin-5-yl)propan-2-amine?
The IUPAC name of 1-(4-ethoxypyrimidin-5-yl)propan-2-amine (CID 83875775) is 1-(4-ethoxypyrimidin-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-ethoxypyrimidin-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-ethoxypyrimidin-5-yl)propan-2-amine is CCOc1ncncc1CC(C)N.
What is the InChIKey of 1-(4-ethoxypyrimidin-5-yl)propan-2-amine?
The InChIKey is LNVDNMVZQJAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-13-9-8(4-7(2)10)5-11-6-12-9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 1-(4-ethoxypyrimidin-5-yl)propan-2-amine?
1-(4-ethoxypyrimidin-5-yl)propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypyrimidin-5-yl)propan-2-amine is sourced from PubChem (CID 83875775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).