6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine

C15H16N4S — CID 79819323

IUPAC6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Cc1nc2ccccc2s1
InChIInChI=1S/C15H16N4S/c1-2-5-10-12(17-9-18-15(10)16)8-14-19-11-6-3-4-7-13(11)20-14/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyKGIKHLJNRULZHW-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.21
Rot. Bonds4

About 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine

6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine (PubChem CID 79819323) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine
PubChem CID79819323
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Cc1nc2ccccc2s1
InChIInChI=1S/C15H16N4S/c1-2-5-10-12(17-9-18-15(10)16)8-14-19-11-6-3-4-7-13(11)20-14/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyKGIKHLJNRULZHW-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 155811809
1-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]butan-2-amine
CID 71198623
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
6-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 79825738
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
CID 79818659
4-(1,3-benzothiazol-2-ylmethyl)-2-ethylaniline
CID 81287573
3-(1,3-benzothiazol-2-ylmethyl)pentan-3-amine
CID 79818843
3-(1,3-benzothiazol-2-ylmethyl)-5-methylaniline
CID 107579603
5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine (CID 79819323) is 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Cc1nc2ccccc2s1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine?
The InChIKey is KGIKHLJNRULZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-5-10-12(17-9-18-15(10)16)8-14-19-11-6-3-4-7-13(11)20-14/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18).
What are the key properties of 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine?
6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylmethyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 79819323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).