2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol

C19H23FN6O2S — CID 176867410

IUPAC2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C19H23FN6O2S/c1-19(2,11-27)25-17-15-14(5-8-29(15)28)23-18(24-17)26-6-3-12(4-7-26)16-21-9-13(20)10-22-16/h3,9-10,27H,4-8,11H2,1-2H3,(H,23,24,25)/t29-/m1/s1
InChIKeySPENFAYQQDGLCR-GDLZYMKVSA-N
MW418.50 g/mol
LogP1.55
Rot. Bonds5

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

2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 176867410) has the molecular formula C19H23FN6O2S and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID176867410
Molecular FormulaC19H23FN6O2S
Molecular Weight418.50 g/mol
Exact Mass418.16
IUPAC Name2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C19H23FN6O2S/c1-19(2,11-27)25-17-15-14(5-8-29(15)28)23-18(24-17)26-6-3-12(4-7-26)16-21-9-13(20)10-22-16/h3,9-10,27H,4-8,11H2,1-2H3,(H,23,24,25)/t29-/m1/s1
InChIKeySPENFAYQQDGLCR-GDLZYMKVSA-N
XLogP1.55
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 176867410) is 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2.
What is the InChIKey of 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is SPENFAYQQDGLCR-GDLZYMKVSA-N. The full InChI is InChI=1S/C19H23FN6O2S/c1-19(2,11-27)25-17-15-14(5-8-29(15)28)23-18(24-17)26-6-3-12(4-7-26)16-21-9-13(20)10-22-16/h3,9-10,27H,4-8,11H2,1-2H3,(H,23,24,25)/t29-/m1/s1.
What are the key properties of 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 418.50 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 176867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).