3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

C12H17N5O2 — CID 80655042

IUPAC3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1cc(C)nc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-4-13-9-5-8(2)15-10(16-9)7-17-11(18)6-14-12(17)19/h5H,3-4,6-7H2,1-2H3,(H,14,19)(H,13,15,16)
InChIKeyKOXVTYIUXSAELX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.66
Rot. Bonds5

About 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 80655042) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID80655042
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1cc(C)nc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-4-13-9-5-8(2)15-10(16-9)7-17-11(18)6-14-12(17)19/h5H,3-4,6-7H2,1-2H3,(H,14,19)(H,13,15,16)
InChIKeyKOXVTYIUXSAELX-UHFFFAOYSA-N
XLogP0.66
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione 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

1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
CID 80657652
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 50958764
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 62209192
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
CID 80664522
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (CID 80655042) is 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is CCCNc1cc(C)nc(CN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is KOXVTYIUXSAELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-4-13-9-5-8(2)15-10(16-9)7-17-11(18)6-14-12(17)19/h5H,3-4,6-7H2,1-2H3,(H,14,19)(H,13,15,16).
What are the key properties of 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 80655042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).