3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide

C9H15N5O4 — CID 106170945

IUPAC3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
SMILESCCn1c(N)c(NCC(O)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O4/c1-2-14-6(10)5(8(17)13-9(14)18)12-3-4(15)7(11)16/h4,12,15H,2-3,10H2,1H3,(H2,11,16)(H,13,17,18)
InChIKeyHHRFCMQOVMRUMN-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.60
Rot. Bonds5

About 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide

3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide (PubChem CID 106170945) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
PubChem CID106170945
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
SMILESCCn1c(N)c(NCC(O)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O4/c1-2-14-6(10)5(8(17)13-9(14)18)12-3-4(15)7(11)16/h4,12,15H,2-3,10H2,1H3,(H2,11,16)(H,13,17,18)
InChIKeyHHRFCMQOVMRUMN-UHFFFAOYSA-N
XLogP-2.60
TPSA156.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide 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

6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
CID 103704594
6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
CID 103659754

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide (CID 106170945) is 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide is CCn1c(N)c(NCC(O)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide?
The InChIKey is HHRFCMQOVMRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-2-14-6(10)5(8(17)13-9(14)18)12-3-4(15)7(11)16/h4,12,15H,2-3,10H2,1H3,(H2,11,16)(H,13,17,18).
What are the key properties of 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide?
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide has a molecular weight of 257.25 g/mol, XLogP of -2.60, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).