2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C10H10F3N7S — CID 106775091

IUPAC2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Sc2nc(N)cc(N)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N7S/c1-16-6-3-7(20-8(19-6)10(11,12)13)21-9-17-4(14)2-5(15)18-9/h2-3H,1H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyYZDZFPXVBSWHHA-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.64
Rot. Bonds3

About 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 106775091) has the molecular formula C10H10F3N7S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID106775091
Molecular FormulaC10H10F3N7S
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Sc2nc(N)cc(N)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N7S/c1-16-6-3-7(20-8(19-6)10(11,12)13)21-9-17-4(14)2-5(15)18-9/h2-3H,1H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyYZDZFPXVBSWHHA-UHFFFAOYSA-N
XLogP1.64
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 106775091) is 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CNc1cc(Sc2nc(N)cc(N)n2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is YZDZFPXVBSWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7S/c1-16-6-3-7(20-8(19-6)10(11,12)13)21-9-17-4(14)2-5(15)18-9/h2-3H,1H3,(H,16,19,20)(H4,14,15,17,18).
What are the key properties of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 317.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 106775091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).