1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea

C19H24FN5O3 — CID 91814174

IUPAC1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1OC
InChIInChI=1S/C19H24FN5O3/c1-27-16-5-3-4-15(17(16)28-2)24-19(26)23-10-13-6-8-25(9-7-13)18-21-11-14(20)12-22-18/h3-5,11-13H,6-10H2,1-2H3,(H2,23,24,26)
InChIKeyFFNCMPHZTGGLNN-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.67
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea

1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea (PubChem CID 91814174) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
PubChem CID91814174
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1OC
InChIInChI=1S/C19H24FN5O3/c1-27-16-5-3-4-15(17(16)28-2)24-19(26)23-10-13-6-8-25(9-7-13)18-21-11-14(20)12-22-18/h3-5,11-13H,6-10H2,1-2H3,(H2,23,24,26)
InChIKeyFFNCMPHZTGGLNN-UHFFFAOYSA-N
XLogP2.67
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814176
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353603
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
2-[[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methylamino]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285915
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
CID 91814105
1-(2,3-dimethoxyphenyl)-3-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913422
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 95085737

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea (CID 91814174) is 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea is COc1cccc(NC(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea?
The InChIKey is FFNCMPHZTGGLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-27-16-5-3-4-15(17(16)28-2)24-19(26)23-10-13-6-8-25(9-7-13)18-21-11-14(20)12-22-18/h3-5,11-13H,6-10H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea?
1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea has a molecular weight of 389.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 91814174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).