2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

C23H32N8O2S — CID 118012113

IUPAC2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(NN)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C23H32N8O2S/c1-23(2,32)17-3-5-30(6-4-17)13-16-14-34-20-18(15-11-25-21(29-24)26-12-15)27-22(28-19(16)20)31-7-9-33-10-8-31/h11-12,14,17,32H,3-10,13,24H2,1-2H3,(H,25,26,29)
InChIKeyWNUNIXCARQCGOA-UHFFFAOYSA-N
MW484.63 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 118012113) has the molecular formula C23H32N8O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID118012113
Molecular FormulaC23H32N8O2S
Molecular Weight484.63 g/mol
Exact Mass484.24
IUPAC Name2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(NN)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C23H32N8O2S/c1-23(2,32)17-3-5-30(6-4-17)13-16-14-34-20-18(15-11-25-21(29-24)26-12-15)27-22(28-19(16)20)31-7-9-33-10-8-31/h11-12,14,17,32H,3-10,13,24H2,1-2H3,(H,25,26,29)
InChIKeyWNUNIXCARQCGOA-UHFFFAOYSA-N
XLogP2.25
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 118012113) is 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(NN)nc4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is WNUNIXCARQCGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2S/c1-23(2,32)17-3-5-30(6-4-17)13-16-14-34-20-18(15-11-25-21(29-24)26-12-15)27-22(28-19(16)20)31-7-9-33-10-8-31/h11-12,14,17,32H,3-10,13,24H2,1-2H3,(H,25,26,29).
What are the key properties of 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 484.63 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-hydrazinylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 118012113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).