N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine

C15H20N6S — CID 126887407

IUPACN-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nc(C4CCC4)ns3)CC2)ncn1
InChIInChI=1S/C15H20N6S/c1-2-11(3-1)14-19-15(22-20-14)21-8-5-12(6-9-21)18-13-4-7-16-10-17-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17,18)
InChIKeyYVJFPZKCQWOZJK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887407) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887407
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC NameN-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nc(C4CCC4)ns3)CC2)ncn1
InChIInChI=1S/C15H20N6S/c1-2-11(3-1)14-19-15(22-20-14)21-8-5-12(6-9-21)18-13-4-7-16-10-17-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17,18)
InChIKeyYVJFPZKCQWOZJK-UHFFFAOYSA-N
XLogP2.68
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900415
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648747
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887407) is N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3nc(C4CCC4)ns3)CC2)ncn1.
What is the InChIKey of N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is YVJFPZKCQWOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-2-11(3-1)14-19-15(22-20-14)21-8-5-12(6-9-21)18-13-4-7-16-10-17-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17,18).
What are the key properties of N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 316.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).