N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide

C11H17N3O2 — CID 69178092

IUPACN-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCCN(C(=O)CC(C)(C)O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-4-14(9-6-12-8-13-7-9)10(15)5-11(2,3)16/h6-8,16H,4-5H2,1-3H3
InChIKeyCQCGNVITQWIOTG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.99
Rot. Bonds4

About N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide

N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide (PubChem CID 69178092) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide
PubChem CID69178092
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCCN(C(=O)CC(C)(C)O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-4-14(9-6-12-8-13-7-9)10(15)5-11(2,3)16/h6-8,16H,4-5H2,1-3H3
InChIKeyCQCGNVITQWIOTG-UHFFFAOYSA-N
XLogP0.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide?
The IUPAC name of N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide (CID 69178092) is N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide.
What is the SMILES notation for N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide?
The canonical SMILES for N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide is CCN(C(=O)CC(C)(C)O)c1cncnc1.
What is the InChIKey of N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide?
The InChIKey is CQCGNVITQWIOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-14(9-6-12-8-13-7-9)10(15)5-11(2,3)16/h6-8,16H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide?
N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-3-methyl-N-pyrimidin-5-ylbutanamide is sourced from PubChem (CID 69178092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).