N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide

C12H13F3N6O — CID 44776761

IUPACN-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(N2CCC(NC(=O)C(F)(F)F)CC2)nc1N
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)10(22)19-8-1-3-21(4-2-8)11-18-6-7(5-16)9(17)20-11/h6,8H,1-4H2,(H,19,22)(H2,17,18,20)
InChIKeyNUOYBGYNQNBZIP-UHFFFAOYSA-N
MW314.27 g/mol
LogP0.58
Rot. Bonds2

About N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 44776761) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID44776761
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC NameN-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(N2CCC(NC(=O)C(F)(F)F)CC2)nc1N
InChIInChI=1S/C12H13F3N6O/c13-12(14,15)10(22)19-8-1-3-21(4-2-8)11-18-6-7(5-16)9(17)20-11/h6,8H,1-4H2,(H,19,22)(H2,17,18,20)
InChIKeyNUOYBGYNQNBZIP-UHFFFAOYSA-N
XLogP0.58
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R)-2-[[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 78324085
N-({1-[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]-4-piperidinyl}methyl)acetamide
CID 72926021
4-Amino-2-(3-oxo-4-propylpiperazin-1-YL)pyrimidine-5-carbonitrile
CID 129611399
1-(4-Amino-5-cyanopyrimidin-2-YL)-4-ethyl-N-methylpiperidine-4-carboxamide
CID 129621265
(6S)-4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6-methylpiperazin-2-one
CID 132422813
2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 62491297
2-Chloro-4-(2-acetylamino-ethylamino)-5-trifluoromethyl-pyrimidine
CID 21081033
N-[1-(6-aminopyrimidin-4-yl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 21934597
N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide
CID 57068587
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57833070
(4-Aminopiperidin-1-yl)-[4-(3-methoxypropylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625384
(4-Aminopiperidin-1-yl)-[4-(butylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625434

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 44776761) is N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide is N#Cc1cnc(N2CCC(NC(=O)C(F)(F)F)CC2)nc1N.
What is the InChIKey of N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is NUOYBGYNQNBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c13-12(14,15)10(22)19-8-1-3-21(4-2-8)11-18-6-7(5-16)9(17)20-11/h6,8H,1-4H2,(H,19,22)(H2,17,18,20).
What are the key properties of N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 314.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 44776761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).