1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea

C13H21N5O2 — CID 47253043

IUPAC1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1cc(C)nc(NNC(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21N5O2/c1-8-7-9(2)15-12(14-8)17-18-13(19)16-10(3)11-5-4-6-20-11/h7,10-11H,4-6H2,1-3H3,(H,14,15,17)(H2,16,18,19)
InChIKeyIOPXUIZAGWBKCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.29
Rot. Bonds4

About 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea

1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 47253043) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID47253043
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1cc(C)nc(NNC(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21N5O2/c1-8-7-9(2)15-12(14-8)17-18-13(19)16-10(3)11-5-4-6-20-11/h7,10-11H,4-6H2,1-3H3,(H,14,15,17)(H2,16,18,19)
InChIKeyIOPXUIZAGWBKCW-UHFFFAOYSA-N
XLogP1.29
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea 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

3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 19575574
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 43061447
1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 3246785
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea (CID 47253043) is 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea is Cc1cc(C)nc(NNC(=O)NC(C)C2CCCO2)n1.
What is the InChIKey of 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is IOPXUIZAGWBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8-7-9(2)15-12(14-8)17-18-13(19)16-10(3)11-5-4-6-20-11/h7,10-11H,4-6H2,1-3H3,(H,14,15,17)(H2,16,18,19).
What are the key properties of 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 279.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 47253043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).