[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate

C22H30N8O3S — CID 176868453

IUPAC[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
SMILESCN(C)c1cnc(C2=CCN(c3nc4c(c(NC(C)(C)COC(N)=O)n3)[S@](=O)CC4)CC2)nc1
InChIInChI=1S/C22H30N8O3S/c1-22(2,13-33-20(23)31)28-19-17-16(7-10-34(17)32)26-21(27-19)30-8-5-14(6-9-30)18-24-11-15(12-25-18)29(3)4/h5,11-12H,6-10,13H2,1-4H3,(H2,23,31)(H,26,27,28)/t34-/m1/s1
InChIKeyYZWJEMPQQSXIFM-UUWRZZSWSA-N
MW486.60 g/mol
LogP1.58
Rot. Bonds7

About [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate

[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate (PubChem CID 176868453) has the molecular formula C22H30N8O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate.

Molecular Properties

Compound Name[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
PubChem CID176868453
Molecular FormulaC22H30N8O3S
Molecular Weight486.60 g/mol
Exact Mass486.22
IUPAC Name[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
SMILESCN(C)c1cnc(C2=CCN(c3nc4c(c(NC(C)(C)COC(N)=O)n3)[S@](=O)CC4)CC2)nc1
InChIInChI=1S/C22H30N8O3S/c1-22(2,13-33-20(23)31)28-19-17-16(7-10-34(17)32)26-21(27-19)30-8-5-14(6-9-30)18-24-11-15(12-25-18)29(3)4/h5,11-12H,6-10,13H2,1-4H3,(H2,23,31)(H,26,27,28)/t34-/m1/s1
InChIKeyYZWJEMPQQSXIFM-UUWRZZSWSA-N
XLogP1.58
TPSA139.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?
The IUPAC name of [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate (CID 176868453) is [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate.
What is the SMILES notation for [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?
The canonical SMILES for [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate is CN(C)c1cnc(C2=CCN(c3nc4c(c(NC(C)(C)COC(N)=O)n3)[S@](=O)CC4)CC2)nc1.
What is the InChIKey of [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?
The InChIKey is YZWJEMPQQSXIFM-UUWRZZSWSA-N. The full InChI is InChI=1S/C22H30N8O3S/c1-22(2,13-33-20(23)31)28-19-17-16(7-10-34(17)32)26-21(27-19)30-8-5-14(6-9-30)18-24-11-15(12-25-18)29(3)4/h5,11-12H,6-10,13H2,1-4H3,(H2,23,31)(H,26,27,28)/t34-/m1/s1.
What are the key properties of [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?
[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate has a molecular weight of 486.60 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate is sourced from PubChem (CID 176868453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).