1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea

C13H20FN5O — CID 154736638

IUPAC1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2nc(C)nc(C)c2F)CC1
InChIInChI=1S/C13H20FN5O/c1-8-11(14)12(17-9(2)16-8)19-6-4-10(5-7-19)18-13(20)15-3/h10H,4-7H2,1-3H3,(H2,15,18,20)
InChIKeyFPPSTIGNAYKJAW-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.13
Rot. Bonds2

About 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea

1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea (PubChem CID 154736638) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea
PubChem CID154736638
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2nc(C)nc(C)c2F)CC1
InChIInChI=1S/C13H20FN5O/c1-8-11(14)12(17-9(2)16-8)19-6-4-10(5-7-19)18-13(20)15-3/h10H,4-7H2,1-3H3,(H2,15,18,20)
InChIKeyFPPSTIGNAYKJAW-UHFFFAOYSA-N
XLogP1.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-amine
CID 4728071
4-N-butyl-5-fluoro-6-methylpyrimidine-2,4-diamine
CID 135271009
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
1-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
CID 45106456
Ethyl 4-{[2-(dimethylamino)-5,6-dimethylpyrimidin-4-YL]amino}piperidine-1-carboxylate
CID 50971536
Ethyl (1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)carbamate
CID 91631438
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 126792840
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
N-(1-tert-butylsulfonylpiperidin-4-yl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
CID 136535964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea (CID 154736638) is 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea is CNC(=O)NC1CCN(c2nc(C)nc(C)c2F)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea?
The InChIKey is FPPSTIGNAYKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-8-11(14)12(17-9(2)16-8)19-6-4-10(5-7-19)18-13(20)15-3/h10H,4-7H2,1-3H3,(H2,15,18,20).
What are the key properties of 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea?
1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea has a molecular weight of 281.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 154736638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).