4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136954502

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyIBFBDSQECVJUTO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds5

About 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136954502) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136954502
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyIBFBDSQECVJUTO-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136954502) is 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CCOC(C)(C)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IBFBDSQECVJUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136954502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).