1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea

C17H19ClFN5O — CID 90546264

IUPAC1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
SMILESCC1CCN(c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C17H19ClFN5O/c1-11-4-6-24(7-5-11)16-9-15(20-10-21-16)23-17(25)22-12-2-3-14(19)13(18)8-12/h2-3,8-11H,4-7H2,1H3,(H2,20,21,22,23,25)
InChIKeyNILIRODXYXTORR-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea (PubChem CID 90546264) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
PubChem CID90546264
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
SMILESCC1CCN(c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C17H19ClFN5O/c1-11-4-6-24(7-5-11)16-9-15(20-10-21-16)23-17(25)22-12-2-3-14(19)13(18)8-12/h2-3,8-11H,4-7H2,1H3,(H2,20,21,22,23,25)
InChIKeyNILIRODXYXTORR-UHFFFAOYSA-N
XLogP4.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
1-(3,4-difluorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544036
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546137
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 90546262
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183526
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea (CID 90546264) is 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea is CC1CCN(c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ncn2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea?
The InChIKey is NILIRODXYXTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c1-11-4-6-24(7-5-11)16-9-15(20-10-21-16)23-17(25)22-12-2-3-14(19)13(18)8-12/h2-3,8-11H,4-7H2,1H3,(H2,20,21,22,23,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea has a molecular weight of 363.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea is sourced from PubChem (CID 90546264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).