5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine

C12H17ClF2N4 — CID 153194332

IUPAC5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCC1CC(F)(F)CN(C)C1CNc1ncc(Cl)cn1
InChIInChI=1S/C12H17ClF2N4/c1-8-3-12(14,15)7-19(2)10(8)6-18-11-16-4-9(13)5-17-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyWIRFIKZSPFPSEG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.52
Rot. Bonds3

About 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine

5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 153194332) has the molecular formula C12H17ClF2N4 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID153194332
Molecular FormulaC12H17ClF2N4
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCC1CC(F)(F)CN(C)C1CNc1ncc(Cl)cn1
InChIInChI=1S/C12H17ClF2N4/c1-8-3-12(14,15)7-19(2)10(8)6-18-11-16-4-9(13)5-17-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyWIRFIKZSPFPSEG-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709187
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Chloro-2-(piperidin-4-YL)pyrimidine
CID 55262357
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
5-Chloro-N-[1-(piperidin-1-ylmethyl)cyclopropyl]pyrimidin-2-amine
CID 124208965
(2R)-1-N-(5-chloropyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 124253806
5-chloro-N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129617851
5-Chloro-2-(piperazin-1-YL)pyrimidine
CID 15684303
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-N,N-dimethylpyrimidin-2-amine
CID 58228489
N-[(1R,4S,6R)-3-azabicyclo[4.1.0]hept-4-ylmethyl]-5-(trifluoromethyl)-2-pyrimidinamine
CID 59363654
2-chloro-5-fluoro-N4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-pyrimidineamine
CID 59442709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine (CID 153194332) is 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine is CC1CC(F)(F)CN(C)C1CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is WIRFIKZSPFPSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF2N4/c1-8-3-12(14,15)7-19(2)10(8)6-18-11-16-4-9(13)5-17-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine?
5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 290.75 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 153194332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).