[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone

C18H17N3O2S — CID 10172144

IUPAC[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cnc(NC3CCOCC3)nc2s1
InChIInChI=1S/C18H17N3O2S/c22-16(12-4-2-1-3-5-12)15-10-13-11-19-18(21-17(13)24-15)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,19,20,21)
InChIKeyTUKOYLCCQIBRMK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.51
Rot. Bonds4

About [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone

[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 10172144) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone
PubChem CID10172144
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cnc(NC3CCOCC3)nc2s1
InChIInChI=1S/C18H17N3O2S/c22-16(12-4-2-1-3-5-12)15-10-13-11-19-18(21-17(13)24-15)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,19,20,21)
InChIKeyTUKOYLCCQIBRMK-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The IUPAC name of [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone (CID 10172144) is [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone.
What is the SMILES notation for [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The canonical SMILES for [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone is O=C(c1ccccc1)c1cc2cnc(NC3CCOCC3)nc2s1.
What is the InChIKey of [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The InChIKey is TUKOYLCCQIBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(12-4-2-1-3-5-12)15-10-13-11-19-18(21-17(13)24-15)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,19,20,21).
What are the key properties of [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone?
[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 10172144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).