N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine

C10H13N5S — CID 65269249

IUPACN-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(-c2ncccn2)ns1
InChIInChI=1S/C10H13N5S/c1-7(2)6-13-10-14-9(15-16-10)8-11-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyHDFCKYSBIBTTPY-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.06
Rot. Bonds4

About N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269249) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269249
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(-c2ncccn2)ns1
InChIInChI=1S/C10H13N5S/c1-7(2)6-13-10-14-9(15-16-10)8-11-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyHDFCKYSBIBTTPY-UHFFFAOYSA-N
XLogP2.06
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine (CID 65269249) is N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(-c2ncccn2)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is HDFCKYSBIBTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7(2)6-13-10-14-9(15-16-10)8-11-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).