N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine

C6H10FN3 — CID 166164318

IUPACN-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESCC1=CNC(NF)=NC1C
InChIInChI=1S/C6H10FN3/c1-4-3-8-6(10-7)9-5(4)2/h3,5H,1-2H3,(H2,8,9,10)
InChIKeyAROHBOGNNBDYFU-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.71
Rot. Bonds

About N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine

N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine (PubChem CID 166164318) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine
PubChem CID166164318
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC NameN-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESCC1=CNC(NF)=NC1C
InChIInChI=1S/C6H10FN3/c1-4-3-8-6(10-7)9-5(4)2/h3,5H,1-2H3,(H2,8,9,10)
InChIKeyAROHBOGNNBDYFU-UHFFFAOYSA-N
XLogP0.71
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine (CID 166164318) is N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine is CC1=CNC(NF)=NC1C.
What is the InChIKey of N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine?
The InChIKey is AROHBOGNNBDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-4-3-8-6(10-7)9-5(4)2/h3,5H,1-2H3,(H2,8,9,10).
What are the key properties of N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine?
N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine has a molecular weight of 143.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 166164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).