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

C13H18N4S — CID 79819683

IUPAC5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1ncnc(Cc2nccs2)c1CC
InChIInChI=1S/C13H18N4S/c1-3-5-15-13-10(4-2)11(16-9-17-13)8-12-14-6-7-18-12/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyRVVDJZHBOSDHSA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.91
Rot. Bonds6

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

5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 79819683) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID79819683
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1ncnc(Cc2nccs2)c1CC
InChIInChI=1S/C13H18N4S/c1-3-5-15-13-10(4-2)11(16-9-17-13)8-12-14-6-7-18-12/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyRVVDJZHBOSDHSA-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
2,5-dimethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79820299
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
CID 79722755
N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819985
6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299498
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 79820460

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 79819683) is 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CCCNc1ncnc(Cc2nccs2)c1CC.
What is the InChIKey of 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is RVVDJZHBOSDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-5-15-13-10(4-2)11(16-9-17-13)8-12-14-6-7-18-12/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79819683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).