1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea

C18H22N4O2 — CID 71867503

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(O)C1CC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H22N4O2/c1-12(22-18(24)21-10-17(23)15-6-7-15)13-2-4-14(5-3-13)16-8-19-11-20-9-16/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,21,22,24)
InChIKeyUTNINNIOXFTEHU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea

1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea (PubChem CID 71867503) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
PubChem CID71867503
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(O)C1CC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H22N4O2/c1-12(22-18(24)21-10-17(23)15-6-7-15)13-2-4-14(5-3-13)16-8-19-11-20-9-16/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,21,22,24)
InChIKeyUTNINNIOXFTEHU-UHFFFAOYSA-N
XLogP2.27
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867501
2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
CID 110016061
(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 95906210
1-[(2S)-1-hydroxy-2-methylpentan-2-yl]-3-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 97048870
4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
CID 71867499
N-[1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71985312
(1R,2S,4S)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98346460
(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239
(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
CID 96566193
1-prop-2-ynyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 96524118

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea (CID 71867503) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea is CC(NC(=O)NCC(O)C1CC1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea?
The InChIKey is UTNINNIOXFTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(22-18(24)21-10-17(23)15-6-7-15)13-2-4-14(5-3-13)16-8-19-11-20-9-16/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea is sourced from PubChem (CID 71867503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).