N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine

C9H11N5S2 — CID 80886273

IUPACN,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)nc(C)n1
InChIInChI=1S/C9H11N5S2/c1-5-11-7(10-3)4-8(12-5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12)
InChIKeyFSFMKMMGKMHDTA-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.14
Rot. Bonds3

About N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine

N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80886273) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80886273
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)nc(C)n1
InChIInChI=1S/C9H11N5S2/c1-5-11-7(10-3)4-8(12-5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12)
InChIKeyFSFMKMMGKMHDTA-UHFFFAOYSA-N
XLogP2.14
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80886273) is N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CNc1cc(Sc2nnc(C)s2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is FSFMKMMGKMHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-5-11-7(10-3)4-8(12-5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12).
What are the key properties of N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80886273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).