[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol

C24H30N4OS — CID 127037115

IUPAC[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol
SMILESCN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1(CO)CCCC1
InChIInChI=1S/C24H30N4OS/c1-27(24(16-29)11-5-6-12-24)19-9-13-28(14-10-19)22-21-20(18-7-3-2-4-8-18)15-30-23(21)26-17-25-22/h2-4,7-8,15,17,19,29H,5-6,9-14,16H2,1H3
InChIKeyVBVVHNAEZMNZNA-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.56
Rot. Bonds5

About [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol

[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 127037115) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol
PubChem CID127037115
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol
SMILESCN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1(CO)CCCC1
InChIInChI=1S/C24H30N4OS/c1-27(24(16-29)11-5-6-12-24)19-9-13-28(14-10-19)22-21-20(18-7-3-2-4-8-18)15-30-23(21)26-17-25-22/h2-4,7-8,15,17,19,29H,5-6,9-14,16H2,1H3
InChIKeyVBVVHNAEZMNZNA-UHFFFAOYSA-N
XLogP4.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol (CID 127037115) is [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol is CN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1(CO)CCCC1.
What is the InChIKey of [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is VBVVHNAEZMNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-27(24(16-29)11-5-6-12-24)19-9-13-28(14-10-19)22-21-20(18-7-3-2-4-8-18)15-30-23(21)26-17-25-22/h2-4,7-8,15,17,19,29H,5-6,9-14,16H2,1H3.
What are the key properties of [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol?
[1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 422.60 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 127037115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).