2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide

C7H8F2N4O — CID 130551008

IUPAC2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-11-6(14)4-1-12-7(10)13-2-4/h1-2,5H,3H2,(H,11,14)(H2,10,12,13)
InChIKeyQGBMQAXPFRIXNA-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.05
Rot. Bonds3

About 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide

2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide (PubChem CID 130551008) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide
PubChem CID130551008
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-11-6(14)4-1-12-7(10)13-2-4/h1-2,5H,3H2,(H,11,14)(H2,10,12,13)
InChIKeyQGBMQAXPFRIXNA-UHFFFAOYSA-N
XLogP0.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminopyrimidine-5-carbohydrazide
CID 67479217
4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
CID 79140293
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 110833900
2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
CID 167312017
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
3-amino-N-(2,2-difluoroethyl)-4-nitrobenzamide
CID 113304064

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide (CID 130551008) is 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide is Nc1ncc(C(=O)NCC(F)F)cn1.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is QGBMQAXPFRIXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c8-5(9)3-11-6(14)4-1-12-7(10)13-2-4/h1-2,5H,3H2,(H,11,14)(H2,10,12,13).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide?
2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 130551008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).