5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine

C12H18BrN3S — CID 80638975

IUPAC5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCc1nc(C2CCCCS2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3S/c1-2-5-8-10(13)11(14)16-12(15-8)9-6-3-4-7-17-9/h9H,2-7H2,1H3,(H2,14,15,16)
InChIKeyOHIYXEZLCUYULA-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine

5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine (PubChem CID 80638975) has the molecular formula C12H18BrN3S and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
PubChem CID80638975
Molecular FormulaC12H18BrN3S
Molecular Weight316.27 g/mol
Exact Mass315.04
IUPAC Name5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCc1nc(C2CCCCS2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3S/c1-2-5-8-10(13)11(14)16-12(15-8)9-6-3-4-7-17-9/h9H,2-7H2,1H3,(H2,14,15,16)
InChIKeyOHIYXEZLCUYULA-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284
6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636664
5-propyl-3-(thian-2-yl)-1H-1,2,4-triazole
CID 80596502
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
5-bromo-2-(5-methyloxolan-2-yl)-6-propylpyrimidin-4-amine
CID 82840293
4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742641
4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
CID 80636937
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 103346682
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine (CID 80638975) is 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine is CCCc1nc(C2CCCCS2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The InChIKey is OHIYXEZLCUYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S/c1-2-5-8-10(13)11(14)16-12(15-8)9-6-3-4-7-17-9/h9H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine has a molecular weight of 316.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80638975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).