1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea

C23H19N5O2S — CID 46190734

IUPAC1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(-c2nc(C3=CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C23H19N5O2S/c29-23(26-18-5-10-24-11-6-18)25-17-3-1-16(2-4-17)22-27-19-9-14-31-21(19)20(28-22)15-7-12-30-13-8-15/h1-7,9-11,14H,8,12-13H2,(H2,24,25,26,29)
InChIKeyBPPQVJDWSGXVBZ-UHFFFAOYSA-N
MW429.51 g/mol
LogP5.20
Rot. Bonds4

About 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea

1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea (PubChem CID 46190734) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
PubChem CID46190734
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(-c2nc(C3=CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C23H19N5O2S/c29-23(26-18-5-10-24-11-6-18)25-17-3-1-16(2-4-17)22-27-19-9-14-31-21(19)20(28-22)15-7-12-30-13-8-15/h1-7,9-11,14H,8,12-13H2,(H2,24,25,26,29)
InChIKeyBPPQVJDWSGXVBZ-UHFFFAOYSA-N
XLogP5.20
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
CID 155559468
1-[4-(5-methylsulfanyl-4-morpholin-4-yl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 53330207
1-[4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 141367192
1-[4-[4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-(4-fluorophenyl)urea
CID 118711316
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;2,2,2-trifluoroacetic acid
CID 68948103
1-[4-(5-methyl-4-morpholin-4-yl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 71004568
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
1-[4-[4,6-bis(6-fluoro-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 77248588
1-[4-[4-morpholin-4-yl-6-(4-propan-2-yl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 66585783
4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
CID 143899778
1-[4-[4-(6-hydroxy-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 67021717

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea (CID 46190734) is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(-c2nc(C3=CCOCC3)c3sccc3n2)cc1.
What is the InChIKey of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea?
The InChIKey is BPPQVJDWSGXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-23(26-18-5-10-24-11-6-18)25-17-3-1-16(2-4-17)22-27-19-9-14-31-21(19)20(28-22)15-7-12-30-13-8-15/h1-7,9-11,14H,8,12-13H2,(H2,24,25,26,29).
What are the key properties of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea?
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea has a molecular weight of 429.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 46190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).