1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

C20H20N4O2 — CID 111111338

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCC(O)c1ccc2ccccc2c1)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C20H20N4O2/c25-18(16-8-5-13-3-1-2-4-15(13)9-16)12-23-20(26)24-17-10-21-19(22-11-17)14-6-7-14/h1-5,8-11,14,18,25H,6-7,12H2,(H2,23,24,26)
InChIKeySHYYPUZYQKVQKQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (PubChem CID 111111338) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
PubChem CID111111338
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCC(O)c1ccc2ccccc2c1)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C20H20N4O2/c25-18(16-8-5-13-3-1-2-4-15(13)9-16)12-23-20(26)24-17-10-21-19(22-11-17)14-6-7-14/h1-5,8-11,14,18,25H,6-7,12H2,(H2,23,24,26)
InChIKeySHYYPUZYQKVQKQ-UHFFFAOYSA-N
XLogP3.36
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111453473
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475603
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 95618402
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111224
1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
CID 95188947
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111222

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (CID 111111338) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is O=C(NCC(O)c1ccc2ccccc2c1)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The InChIKey is SHYYPUZYQKVQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(16-8-5-13-3-1-2-4-15(13)9-16)12-23-20(26)24-17-10-21-19(22-11-17)14-6-7-14/h1-5,8-11,14,18,25H,6-7,12H2,(H2,23,24,26).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea has a molecular weight of 348.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 111111338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).