1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea

C15H16FN5O — CID 90545095

IUPAC1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H16FN5O/c16-11-4-3-5-12(8-11)19-15(22)20-13-9-14(18-10-17-13)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2,(H2,17,18,19,20,22)
InChIKeyQWVBREQVFNUFIP-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea

1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea (PubChem CID 90545095) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
PubChem CID90545095
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H16FN5O/c16-11-4-3-5-12(8-11)19-15(22)20-13-9-14(18-10-17-13)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2,(H2,17,18,19,20,22)
InChIKeyQWVBREQVFNUFIP-UHFFFAOYSA-N
XLogP2.86
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 90545107
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
1-(3,4-difluorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544036
4-[6-(3-fluoroanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858341
1-(4-fluorophenyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 57465551

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea (CID 90545095) is 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea is O=C(Nc1cccc(F)c1)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
The InChIKey is QWVBREQVFNUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-11-4-3-5-12(8-11)19-15(22)20-13-9-14(18-10-17-13)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2,(H2,17,18,19,20,22).
What are the key properties of 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea?
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea has a molecular weight of 301.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 90545095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).