[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate

C10H15N3O2 — CID 174547208

IUPAC[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate
SMILESCNc1ncc(OC(C)=O)c(C(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)9-8(15-7(3)14)5-12-10(11-4)13-9/h5-6H,1-4H3,(H,11,12,13)
InChIKeyOEFCHKHRFFDUNB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.57
Rot. Bonds3

About [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate

[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate (PubChem CID 174547208) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate.

Molecular Properties

Compound Name[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate
PubChem CID174547208
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate
SMILESCNc1ncc(OC(C)=O)c(C(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)9-8(15-7(3)14)5-12-10(11-4)13-9/h5-6H,1-4H3,(H,11,12,13)
InChIKeyOEFCHKHRFFDUNB-UHFFFAOYSA-N
XLogP1.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate?
The IUPAC name of [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate (CID 174547208) is [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate.
What is the SMILES notation for [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate?
The canonical SMILES for [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate is CNc1ncc(OC(C)=O)c(C(C)C)n1.
What is the InChIKey of [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate?
The InChIKey is OEFCHKHRFFDUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)9-8(15-7(3)14)5-12-10(11-4)13-9/h5-6H,1-4H3,(H,11,12,13).
What are the key properties of [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate?
[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate has a molecular weight of 209.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-propan-2-ylpyrimidin-5-yl] acetate is sourced from PubChem (CID 174547208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).