1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea

C22H24N4O3 — CID 163296365

IUPAC1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea
SMILESCCC1OC(n2ccc(NC(=O)Nc3ccc4ccccc4c3)nc2=O)C[C@H]1C
InChIInChI=1S/C22H24N4O3/c1-3-18-14(2)12-20(29-18)26-11-10-19(25-22(26)28)24-21(27)23-17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3,(H2,23,24,25,27,28)/t14-,18?,20?/m1/s1
InChIKeyYOWABWRCHYQARD-FHTBDLFWSA-N
MW392.46 g/mol
LogP4.37
Rot. Bonds4

About 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea

1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea (PubChem CID 163296365) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea
PubChem CID163296365
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea
SMILESCCC1OC(n2ccc(NC(=O)Nc3ccc4ccccc4c3)nc2=O)C[C@H]1C
InChIInChI=1S/C22H24N4O3/c1-3-18-14(2)12-20(29-18)26-11-10-19(25-22(26)28)24-21(27)23-17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3,(H2,23,24,25,27,28)/t14-,18?,20?/m1/s1
InChIKeyYOWABWRCHYQARD-FHTBDLFWSA-N
XLogP4.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea 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-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899
N-[1-[(2R,5R)-5-[[(2R,3S,5R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 66793669
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 688454
CID 122234032
CID 122234032
N-[1-[(2R,4S,5R)-4-deuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 101240652
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
CID 10897300
N-[1-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 102169154
2-trimethylsilylethyl N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 102072040
[5-[4-(2,2-dimethylpropanoylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 3569985

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea (CID 163296365) is 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea is CCC1OC(n2ccc(NC(=O)Nc3ccc4ccccc4c3)nc2=O)C[C@H]1C.
What is the InChIKey of 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea?
The InChIKey is YOWABWRCHYQARD-FHTBDLFWSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-18-14(2)12-20(29-18)26-11-10-19(25-22(26)28)24-21(27)23-17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3,(H2,23,24,25,27,28)/t14-,18?,20?/m1/s1.
What are the key properties of 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea?
1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea has a molecular weight of 392.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4R)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 163296365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).