1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

C16H16F2N4O2 — CID 111453473

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1c(F)cccc1F)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C16H16F2N4O2/c17-11-2-1-3-12(18)14(11)13(23)8-21-16(24)22-10-6-19-15(20-7-10)9-4-5-9/h1-3,6-7,9,13,23H,4-5,8H2,(H2,21,22,24)
InChIKeyQOJCICSTQHNAMY-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111453473) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
PubChem CID111453473
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1c(F)cccc1F)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C16H16F2N4O2/c17-11-2-1-3-12(18)14(11)13(23)8-21-16(24)22-10-6-19-15(20-7-10)9-4-5-9/h1-3,6-7,9,13,23H,4-5,8H2,(H2,21,22,24)
InChIKeyQOJCICSTQHNAMY-UHFFFAOYSA-N
XLogP2.49
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
CID 111474647
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111521217
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 166213427
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
CID 86785616

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (CID 111453473) is 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1c(F)cccc1F)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is QOJCICSTQHNAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-11-2-1-3-12(18)14(11)13(23)8-21-16(24)22-10-6-19-15(20-7-10)9-4-5-9/h1-3,6-7,9,13,23H,4-5,8H2,(H2,21,22,24).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 334.33 g/mol, XLogP of 2.49, 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-(2,6-difluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111453473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).