2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine

C9H10F2N6S — CID 17434766

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2nccn2C(F)F)n1
InChIInChI=1S/C9H10F2N6S/c10-8(11)17-2-1-14-7(17)4-18-9-15-5(12)3-6(13)16-9/h1-3,8H,4H2,(H4,12,13,15,16)
InChIKeyIDXCJDCOVQYFKD-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.52
Rot. Bonds4

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine

2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 17434766) has the molecular formula C9H10F2N6S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID17434766
Molecular FormulaC9H10F2N6S
Molecular Weight272.28 g/mol
Exact Mass272.07
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2nccn2C(F)F)n1
InChIInChI=1S/C9H10F2N6S/c10-8(11)17-2-1-14-7(17)4-18-9-15-5(12)3-6(13)16-9/h1-3,8H,4H2,(H4,12,13,15,16)
InChIKeyIDXCJDCOVQYFKD-UHFFFAOYSA-N
XLogP1.52
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine (CID 17434766) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2nccn2C(F)F)n1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is IDXCJDCOVQYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N6S/c10-8(11)17-2-1-14-7(17)4-18-9-15-5(12)3-6(13)16-9/h1-3,8H,4H2,(H4,12,13,15,16).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 272.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 17434766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).