N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide

C8H10F2N4O — CID 102922371

IUPACN-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cncnc1
InChIInChI=1S/C8H10F2N4O/c9-8(10,3-11)4-14-7(15)6-1-12-5-13-2-6/h1-2,5H,3-4,11H2,(H,14,15)
InChIKeyWYFSEOFMZRZJHJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.20
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide

N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide (PubChem CID 102922371) has the molecular formula C8H10F2N4O and a molecular weight of 216.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide
PubChem CID102922371
Molecular FormulaC8H10F2N4O
Molecular Weight216.19 g/mol
Exact Mass216.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cncnc1
InChIInChI=1S/C8H10F2N4O/c9-8(10,3-11)4-14-7(15)6-1-12-5-13-2-6/h1-2,5H,3-4,11H2,(H,14,15)
InChIKeyWYFSEOFMZRZJHJ-UHFFFAOYSA-N
XLogP-0.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide (CID 102922371) is N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide is NCC(F)(F)CNC(=O)c1cncnc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide?
The InChIKey is WYFSEOFMZRZJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O/c9-8(10,3-11)4-14-7(15)6-1-12-5-13-2-6/h1-2,5H,3-4,11H2,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide has a molecular weight of 216.19 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).