2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine

C6H8F2N4S — CID 60565326

IUPAC2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC(F)F)n1
InChIInChI=1S/C6H8F2N4S/c7-3(8)2-13-6-11-4(9)1-5(10)12-6/h1,3H,2H2,(H4,9,10,11,12)
InChIKeyVGMKOBGJJBXDJH-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.00
Rot. Bonds3

About 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine

2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 60565326) has the molecular formula C6H8F2N4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID60565326
Molecular FormulaC6H8F2N4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC(F)F)n1
InChIInChI=1S/C6H8F2N4S/c7-3(8)2-13-6-11-4(9)1-5(10)12-6/h1,3H,2H2,(H4,9,10,11,12)
InChIKeyVGMKOBGJJBXDJH-UHFFFAOYSA-N
XLogP1.00
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-Methylthiopyrimidine-4,6-diamine
CID 70497
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 2187682
2-(4,6-Diaminopyrimidin-2-yl)sulfanylacetamide
CID 459830
[(4,6-Diamino-2-pyrimidinyl)sulfanyl]acetonitrile
CID 3167959
4,6-Pyrimidinediamine, 2,2'-(1,5-pentanediylbis(thio))bis-
CID 13285555
N4,N4-dimethyl-2-(methylthio)pyrimidine-4,6-diamine
CID 816994
4,6-Difluoro-2-(methylsulfanyl)pyrimidine
CID 14461144
4-Pyrimidinamine, 2-(butylthio)-6-chloro-
CID 478115
2-Fluoropyrimidine-4,6-diamine
CID 90177245
2-(Trifluoromethyl)pyrimidine-4,6-diamine
CID 244055

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine (CID 60565326) is 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is VGMKOBGJJBXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4S/c7-3(8)2-13-6-11-4(9)1-5(10)12-6/h1,3H,2H2,(H4,9,10,11,12).
What are the key properties of 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine?
2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 206.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 60565326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).