N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine

C10H14F2N4 — CID 134542946

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESFC1(F)CNCCC1CNc1ccncn1
InChIInChI=1S/C10H14F2N4/c11-10(12)6-13-3-1-8(10)5-15-9-2-4-14-7-16-9/h2,4,7-8,13H,1,3,5-6H2,(H,14,15,16)
InChIKeyVEOWYYZAVWAIJV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.13
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine

N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 134542946) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID134542946
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESFC1(F)CNCCC1CNc1ccncn1
InChIInChI=1S/C10H14F2N4/c11-10(12)6-13-3-1-8(10)5-15-9-2-4-14-7-16-9/h2,4,7-8,13H,1,3,5-6H2,(H,14,15,16)
InChIKeyVEOWYYZAVWAIJV-UHFFFAOYSA-N
XLogP1.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
CID 134542653
2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543776
N-[(3-aminocyclopentyl)methyl]pyrimidin-4-amine
CID 83619904
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 72907175
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide
CID 138001615
N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 130542673
1-(4-piperidin-4-ylphenyl)-2-pyrimidin-4-ylhydrazine
CID 143497505
4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705381

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine (CID 134542946) is N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine is FC1(F)CNCCC1CNc1ccncn1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is VEOWYYZAVWAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c11-10(12)6-13-3-1-8(10)5-15-9-2-4-14-7-16-9/h2,4,7-8,13H,1,3,5-6H2,(H,14,15,16).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine?
N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 228.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 134542946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).