N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine

C15H16N6S — CID 126887234

IUPACN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4sccc34)CC2)ncn1
InChIInChI=1S/C15H16N6S/c1-5-16-9-17-13(1)20-11-2-6-21(7-3-11)14-12-4-8-22-15(12)19-10-18-14/h1,4-5,8-11H,2-3,6-7H2,(H,16,17,20)
InChIKeyBZHZRCKHINKSEO-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.56
Rot. Bonds3

About N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine

N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 126887234) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID126887234
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC NameN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4sccc34)CC2)ncn1
InChIInChI=1S/C15H16N6S/c1-5-16-9-17-13(1)20-11-2-6-21(7-3-11)14-12-4-8-22-15(12)19-10-18-14/h1,4-5,8-11H,2-3,6-7H2,(H,16,17,20)
InChIKeyBZHZRCKHINKSEO-UHFFFAOYSA-N
XLogP2.56
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 127896861
5-nitro-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)pyridin-2-amine
CID 75431408
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 139021545
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583426
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238

Frequently Asked Questions

What is the IUPAC name of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine (CID 126887234) is N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine is c1cc(NC2CCN(c3ncnc4sccc34)CC2)ncn1.
What is the InChIKey of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is BZHZRCKHINKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-5-16-9-17-13(1)20-11-2-6-21(7-3-11)14-12-4-8-22-15(12)19-10-18-14/h1,4-5,8-11H,2-3,6-7H2,(H,16,17,20).
What are the key properties of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 126887234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).