3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide

C9H14N4O3 — CID 171898981

IUPAC3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
SMILESCNc1ncc(C(O)C(O)CC(N)=O)cn1
InChIInChI=1S/C9H14N4O3/c1-11-9-12-3-5(4-13-9)8(16)6(14)2-7(10)15/h3-4,6,8,14,16H,2H2,1H3,(H2,10,15)(H,11,12,13)
InChIKeyPZUFBIZRPYZVBA-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.21
Rot. Bonds5

About 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide

3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide (PubChem CID 171898981) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
PubChem CID171898981
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
SMILESCNc1ncc(C(O)C(O)CC(N)=O)cn1
InChIInChI=1S/C9H14N4O3/c1-11-9-12-3-5(4-13-9)8(16)6(14)2-7(10)15/h3-4,6,8,14,16H,2H2,1H3,(H2,10,15)(H,11,12,13)
InChIKeyPZUFBIZRPYZVBA-UHFFFAOYSA-N
XLogP-1.21
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
CID 171857762
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
3,4-dihydroxy-4-(6-nitro-3-pyridinyl)butanamide
CID 171899162
4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899288
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877191

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide (CID 171898981) is 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide is CNc1ncc(C(O)C(O)CC(N)=O)cn1.
What is the InChIKey of 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide?
The InChIKey is PZUFBIZRPYZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-11-9-12-3-5(4-13-9)8(16)6(14)2-7(10)15/h3-4,6,8,14,16H,2H2,1H3,(H2,10,15)(H,11,12,13).
What are the key properties of 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide?
3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide has a molecular weight of 226.24 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide is sourced from PubChem (CID 171898981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).