2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one

C10H17N3O2 — CID 114586387

IUPAC2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCc1nc(OCCNC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)11-4-5-15-10-6-9(14)12-8(3)13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCKIRKOVMASGILV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.46
Rot. Bonds5

About 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one

2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586387) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586387
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCc1nc(OCCNC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)11-4-5-15-10-6-9(14)12-8(3)13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCKIRKOVMASGILV-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586387) is 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is Cc1nc(OCCNC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is CKIRKOVMASGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)11-4-5-15-10-6-9(14)12-8(3)13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).