2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol

C21H26N4O2 — CID 133376280

IUPAC2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Nc2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H26N4O2/c26-17-7-3-2-6-16(17)25-11-9-14(10-12-25)24-21-20-19(22-13-23-21)15-5-1-4-8-18(15)27-20/h1,4-5,8,13-14,16-17,26H,2-3,6-7,9-12H2,(H,22,23,24)
InChIKeyQSLZSXGJAAVPBM-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.56
Rot. Bonds3

About 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol

2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376280) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol
PubChem CID133376280
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Nc2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H26N4O2/c26-17-7-3-2-6-16(17)25-11-9-14(10-12-25)24-21-20-19(22-13-23-21)15-5-1-4-8-18(15)27-20/h1,4-5,8,13-14,16-17,26H,2-3,6-7,9-12H2,(H,22,23,24)
InChIKeyQSLZSXGJAAVPBM-UHFFFAOYSA-N
XLogP3.56
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133305265
2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
CID 133496505
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
CID 133286045
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4789857
N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023435
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023405
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol (CID 133376280) is 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(Nc2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is QSLZSXGJAAVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-17-7-3-2-6-16(17)25-11-9-14(10-12-25)24-21-20-19(22-13-23-21)15-5-1-4-8-18(15)27-20/h1,4-5,8,13-14,16-17,26H,2-3,6-7,9-12H2,(H,22,23,24).
What are the key properties of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol?
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 366.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).