4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one

C20H28N6O2S — CID 126734480

IUPAC4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCC(C)C(CO)Nc1nc(N2CCN(c3cc[nH]c(=O)c3)CC2)nc2c1SCC2
InChIInChI=1S/C20H28N6O2S/c1-13(2)16(12-27)22-19-18-15(4-10-29-18)23-20(24-19)26-8-6-25(7-9-26)14-3-5-21-17(28)11-14/h3,5,11,13,16,27H,4,6-10,12H2,1-2H3,(H,21,28)(H,22,23,24)
InChIKeyUFRFWNQQOHUKKC-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.57
Rot. Bonds6

About 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one

4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 126734480) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID126734480
Molecular FormulaC20H28N6O2S
Molecular Weight416.55 g/mol
Exact Mass416.20
IUPAC Name4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCC(C)C(CO)Nc1nc(N2CCN(c3cc[nH]c(=O)c3)CC2)nc2c1SCC2
InChIInChI=1S/C20H28N6O2S/c1-13(2)16(12-27)22-19-18-15(4-10-29-18)23-20(24-19)26-8-6-25(7-9-26)14-3-5-21-17(28)11-14/h3,5,11,13,16,27H,4,6-10,12H2,1-2H3,(H,21,28)(H,22,23,24)
InChIKeyUFRFWNQQOHUKKC-UHFFFAOYSA-N
XLogP1.57
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one (CID 126734480) is 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one is CC(C)C(CO)Nc1nc(N2CCN(c3cc[nH]c(=O)c3)CC2)nc2c1SCC2.
What is the InChIKey of 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is UFRFWNQQOHUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-13(2)16(12-27)22-19-18-15(4-10-29-18)23-20(24-19)26-8-6-25(7-9-26)14-3-5-21-17(28)11-14/h3,5,11,13,16,27H,4,6-10,12H2,1-2H3,(H,21,28)(H,22,23,24).
What are the key properties of 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one?
4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 416.55 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 126734480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).