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

C13H18N4S2 — CID 80990587

IUPAC2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2nccs2)c1C
InChIInChI=1S/C13H18N4S2/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyCMEFARJDBJRRRK-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.78
Rot. Bonds6

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

2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80990587) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80990587
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2nccs2)c1C
InChIInChI=1S/C13H18N4S2/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyCMEFARJDBJRRRK-UHFFFAOYSA-N
XLogP3.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.78
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-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991390
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
6-chloro-2-ethyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79555714
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
2-ethyl-6-hydrazinyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81007235
3-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80994777
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80990587) is 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is CCCNc1nc(CC)nc(Sc2nccs2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is CMEFARJDBJRRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 294.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80990587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).