4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide

C9H12F2N4O2 — CID 103151381

IUPAC4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CCOCC(F)F)nc1N
InChIInChI=1S/C9H12F2N4O2/c10-6(11)4-17-2-1-7-14-3-5(9(13)16)8(12)15-7/h3,6H,1-2,4H2,(H2,13,16)(H2,12,14,15)
InChIKeySCAYUBGRRMGQOE-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.02
Rot. Bonds6

About 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide

4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 103151381) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID103151381
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CCOCC(F)F)nc1N
InChIInChI=1S/C9H12F2N4O2/c10-6(11)4-17-2-1-7-14-3-5(9(13)16)8(12)15-7/h3,6H,1-2,4H2,(H2,13,16)(H2,12,14,15)
InChIKeySCAYUBGRRMGQOE-UHFFFAOYSA-N
XLogP-0.02
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide (CID 103151381) is 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide is NC(=O)c1cnc(CCOCC(F)F)nc1N.
What is the InChIKey of 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is SCAYUBGRRMGQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-6(11)4-17-2-1-7-14-3-5(9(13)16)8(12)15-7/h3,6H,1-2,4H2,(H2,13,16)(H2,12,14,15).
What are the key properties of 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide?
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 246.22 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 103151381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).