6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C18H22N4OS — CID 45279727

IUPAC6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1
InChIInChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+
InChIKeyPVOIMUIDWFQGQH-TXEJJXNPSA-N
MW342.47 g/mol
LogP4.30
Rot. Bonds3

About 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279727) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279727
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1
InChIInChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+
InChIKeyPVOIMUIDWFQGQH-TXEJJXNPSA-N
XLogP4.30
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45279727) is 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is C[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1.
What is the InChIKey of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PVOIMUIDWFQGQH-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+.
What are the key properties of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).