N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

C11H14N4S2 — CID 80886227

IUPACN-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1nccs1
InChIInChI=1S/C11H14N4S2/c1-3-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16-11/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyZVRIOZXMRRDWGP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80886227) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80886227
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC NameN-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1nccs1
InChIInChI=1S/C11H14N4S2/c1-3-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16-11/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyZVRIOZXMRRDWGP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885968
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931194

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80886227) is N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is CCCc1c(NC)ncnc1Sc1nccs1.
What is the InChIKey of N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZVRIOZXMRRDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-3-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16-11/h5-7H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80886227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).