N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine

C12H16N4S2 — CID 80937649

IUPACN,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)cs2)nc(CC)n1
InChIInChI=1S/C12H16N4S2/c1-4-9-15-10(13-5-2)6-11(16-9)18-12-14-8(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyZITYELAHJGAUEX-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.39
Rot. Bonds5

About N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine

N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80937649) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80937649
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC NameN,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)cs2)nc(CC)n1
InChIInChI=1S/C12H16N4S2/c1-4-9-15-10(13-5-2)6-11(16-9)18-12-14-8(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyZITYELAHJGAUEX-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
CID 80936963
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 164647838

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80937649) is N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine is CCNc1cc(Sc2nc(C)cs2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is ZITYELAHJGAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-4-9-15-10(13-5-2)6-11(16-9)18-12-14-8(3)7-17-12/h6-7H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80937649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).