3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C11H18N4O2 — CID 136671883

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-8-13-9(5-10(17)14-8)15-11(2,3)6-7(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H2,13,14,15,17)
InChIKeyDPGWWFWEDMSSMY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.40
Rot. Bonds5

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136671883) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136671883
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-8-13-9(5-10(17)14-8)15-11(2,3)6-7(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H2,13,14,15,17)
InChIKeyDPGWWFWEDMSSMY-UHFFFAOYSA-N
XLogP0.40
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136671883) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is CCc1nc(NC(C)(C)CC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is DPGWWFWEDMSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-8-13-9(5-10(17)14-8)15-11(2,3)6-7(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H2,13,14,15,17).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136671883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).