4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide

C9H14N4O2 — CID 101024767

IUPAC4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide
SMILESCn1ccc(NC(=O)CCCN)nc1=O
InChIInChI=1S/C9H14N4O2/c1-13-6-4-7(12-9(13)15)11-8(14)3-2-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12,14,15)
InChIKeyFDOJNBBCBAZXGM-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.54
Rot. Bonds4

About 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide

4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide (PubChem CID 101024767) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide
PubChem CID101024767
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide
SMILESCn1ccc(NC(=O)CCCN)nc1=O
InChIInChI=1S/C9H14N4O2/c1-13-6-4-7(12-9(13)15)11-8(14)3-2-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12,14,15)
InChIKeyFDOJNBBCBAZXGM-UHFFFAOYSA-N
XLogP-0.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide?
The IUPAC name of 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide (CID 101024767) is 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide?
The canonical SMILES for 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide is Cn1ccc(NC(=O)CCCN)nc1=O.
What is the InChIKey of 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide?
The InChIKey is FDOJNBBCBAZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-6-4-7(12-9(13)15)11-8(14)3-2-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12,14,15).
What are the key properties of 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide?
4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methyl-2-oxopyrimidin-4-yl)butanamide is sourced from PubChem (CID 101024767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).