6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one

C9H15N3O — CID 83846624

IUPAC6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(C)N)[nH]c(=O)n1
InChIInChI=1S/C9H15N3O/c1-5(2)7-4-8(6(3)10)12-9(13)11-7/h4-6H,10H2,1-3H3,(H,11,12,13)
InChIKeyJSCPNFRRIKTWMY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.91
Rot. Bonds2

About 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one

6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 83846624) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID83846624
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(C)N)[nH]c(=O)n1
InChIInChI=1S/C9H15N3O/c1-5(2)7-4-8(6(3)10)12-9(13)11-7/h4-6H,10H2,1-3H3,(H,11,12,13)
InChIKeyJSCPNFRRIKTWMY-UHFFFAOYSA-N
XLogP0.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one (CID 83846624) is 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1cc(C(C)N)[nH]c(=O)n1.
What is the InChIKey of 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is JSCPNFRRIKTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5(2)7-4-8(6(3)10)12-9(13)11-7/h4-6H,10H2,1-3H3,(H,11,12,13).
What are the key properties of 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one?
6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83846624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).