N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine

C11H14N4S2 — CID 80893375

IUPACN-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Sc2nc(C)cs2)n1
InChIInChI=1S/C11H14N4S2/c1-4-12-10-13-5-7(2)9(15-10)17-11-14-8(3)6-16-11/h5-6H,4H2,1-3H3,(H,12,13,15)
InChIKeyTWHRWOVCBJKKCE-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine

N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80893375) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80893375
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC NameN-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Sc2nc(C)cs2)n1
InChIInChI=1S/C11H14N4S2/c1-4-12-10-13-5-7(2)9(15-10)17-11-14-8(3)6-16-11/h5-6H,4H2,1-3H3,(H,12,13,15)
InChIKeyTWHRWOVCBJKKCE-UHFFFAOYSA-N
XLogP3.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882882
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
3-[2-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892604
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651358
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 80893375) is N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine is CCNc1ncc(C)c(Sc2nc(C)cs2)n1.
What is the InChIKey of N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is TWHRWOVCBJKKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-4-12-10-13-5-7(2)9(15-10)17-11-14-8(3)6-16-11/h5-6H,4H2,1-3H3,(H,12,13,15).
What are the key properties of N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine?
N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80893375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).