N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine

C11H14N4S2 — CID 80655030

IUPACN-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2nccs2)n1
InChIInChI=1S/C11H14N4S2/c1-3-12-9-6-8(2)14-10(15-9)7-17-11-13-4-5-16-11/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyZUHBDOFPVWKBHN-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 80655030) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID80655030
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC NameN-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2nccs2)n1
InChIInChI=1S/C11H14N4S2/c1-3-12-9-6-8(2)14-10(15-9)7-17-11-13-4-5-16-11/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyZUHBDOFPVWKBHN-UHFFFAOYSA-N
XLogP2.97
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654807
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 80654238
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654720
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655256
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 80657132
N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188972
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 80663820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 80655030) is N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine is CCNc1cc(C)nc(CSc2nccs2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is ZUHBDOFPVWKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-3-12-9-6-8(2)14-10(15-9)7-17-11-13-4-5-16-11/h4-6H,3,7H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80655030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).