6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one

C13H23N3O2 — CID 71110306

IUPAC6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCCc1c(C(C)(C)C)nc(NCCO)n(C)c1=O
InChIInChI=1S/C13H23N3O2/c1-6-9-10(13(2,3)4)15-12(14-7-8-17)16(5)11(9)18/h17H,6-8H2,1-5H3,(H,14,15)
InChIKeyNZJQDKBDQQADNL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.04
Rot. Bonds4

About 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one

6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (PubChem CID 71110306) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
PubChem CID71110306
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
SMILESCCc1c(C(C)(C)C)nc(NCCO)n(C)c1=O
InChIInChI=1S/C13H23N3O2/c1-6-9-10(13(2,3)4)15-12(14-7-8-17)16(5)11(9)18/h17H,6-8H2,1-5H3,(H,14,15)
InChIKeyNZJQDKBDQQADNL-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-(2-methoxyethyl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136665900
2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol
CID 135408993
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
5,6-Ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110198
2-(2-hydroxyethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135581426
2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135621415
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
CID 135736975
2-[2-(Ethylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800772
2-[2-(Butylamino)-1,4-dimethyl-6-oxopyrimidin-5-yl]ethyl hypochlorite
CID 139800773

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one (CID 71110306) is 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is CCc1c(C(C)(C)C)nc(NCCO)n(C)c1=O.
What is the InChIKey of 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
The InChIKey is NZJQDKBDQQADNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-9-10(13(2,3)4)15-12(14-7-8-17)16(5)11(9)18/h17H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one?
6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one has a molecular weight of 253.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 71110306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).