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

C12H18N6S2 — CID 80883438

IUPACN,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C12H18N6S2/c1-5-6-13-10-14-8(2)7-9(15-10)19-12-17-16-11(20-12)18(3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyJTSIIPUUBBSVBO-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.68
Rot. Bonds6

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

N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 80883438) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID80883438
Molecular FormulaC12H18N6S2
Molecular Weight310.45 g/mol
Exact Mass310.10
IUPAC NameN,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C12H18N6S2/c1-5-6-13-10-14-8(2)7-9(15-10)19-12-17-16-11(20-12)18(3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyJTSIIPUUBBSVBO-UHFFFAOYSA-N
XLogP2.68
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931417
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208
4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
CID 80895426
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614268
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266
5-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80972938
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 80883438) is N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is CCCNc1nc(C)cc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JTSIIPUUBBSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S2/c1-5-6-13-10-14-8(2)7-9(15-10)19-12-17-16-11(20-12)18(3)4/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 310.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80883438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).