5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine

C4H7F2N3 — CID 12052723

IUPAC5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine
SMILESNC1=NCC(F)(F)CN1
InChIInChI=1S/C4H7F2N3/c5-4(6)1-8-3(7)9-2-4/h1-2H2,(H3,7,8,9)
InChIKeyNDTLPGSBLDKERL-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.46
Rot. Bonds

About 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine

5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 12052723) has the molecular formula C4H7F2N3 and a molecular weight of 135.12 g/mol. Its IUPAC name is 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID12052723
Molecular FormulaC4H7F2N3
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Name5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine
SMILESNC1=NCC(F)(F)CN1
InChIInChI=1S/C4H7F2N3/c5-4(6)1-8-3(7)9-2-4/h1-2H2,(H3,7,8,9)
InChIKeyNDTLPGSBLDKERL-UHFFFAOYSA-N
XLogP-0.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine (CID 12052723) is 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine is NC1=NCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is NDTLPGSBLDKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N3/c5-4(6)1-8-3(7)9-2-4/h1-2H2,(H3,7,8,9).
What are the key properties of 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine?
5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 135.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 12052723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).