3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one

C10H17N3O2 — CID 61224566

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
SMILESCCNCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-11-5-9(14)6-13-7-12-8(2)4-10(13)15/h4,7,9,11,14H,3,5-6H2,1-2H3
InChIKeyLCQBHTUYVUFUJM-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.48
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one

3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one (PubChem CID 61224566) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
PubChem CID61224566
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
SMILESCCNCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-11-5-9(14)6-13-7-12-8(2)4-10(13)15/h4,7,9,11,14H,3,5-6H2,1-2H3
InChIKeyLCQBHTUYVUFUJM-UHFFFAOYSA-N
XLogP-0.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one (CID 61224566) is 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one is CCNCC(O)Cn1cnc(C)cc1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
The InChIKey is LCQBHTUYVUFUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-11-5-9(14)6-13-7-12-8(2)4-10(13)15/h4,7,9,11,14H,3,5-6H2,1-2H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one?
3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).