4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136956387

IUPAC4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCOCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-3-14-5-7(2)12-8-4-9(13)11-6-10-8/h4,6-7H,3,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMWPYYVNECOSZJX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.61
Rot. Bonds5

About 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one

4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956387) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956387
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCOCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-3-14-5-7(2)12-8-4-9(13)11-6-10-8/h4,6-7H,3,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMWPYYVNECOSZJX-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one (CID 136956387) is 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one is CCOCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MWPYYVNECOSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-5-7(2)12-8-4-9(13)11-6-10-8/h4,6-7H,3,5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).