3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide

C11H17N3O2 — CID 110475188

IUPAC3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide
SMILESCOc1ncc(CCC(=O)NC(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-8(2)14-10(15)5-4-9-6-12-11(16-3)13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyBCWRKDLFNIMVIJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.94
Rot. Bonds5

About 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide

3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide (PubChem CID 110475188) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide
PubChem CID110475188
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide
SMILESCOc1ncc(CCC(=O)NC(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-8(2)14-10(15)5-4-9-6-12-11(16-3)13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyBCWRKDLFNIMVIJ-UHFFFAOYSA-N
XLogP0.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide (CID 110475188) is 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide is COc1ncc(CCC(=O)NC(C)C)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide?
The InChIKey is BCWRKDLFNIMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)14-10(15)5-4-9-6-12-11(16-3)13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide?
3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 110475188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).