N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C20H24N4O2 — CID 133305265

IUPACN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NC3CCN(CC4CCOC4)CC3)ncnc12
InChIInChI=1S/C20H24N4O2/c1-2-4-17-16(3-1)18-19(26-17)20(22-13-21-18)23-15-5-8-24(9-6-15)11-14-7-10-25-12-14/h1-4,13-15H,5-12H2,(H,21,22,23)
InChIKeyCJFUCAYSRPJXIU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133305265) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133305265
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)oc1c(NC3CCN(CC4CCOC4)CC3)ncnc12
InChIInChI=1S/C20H24N4O2/c1-2-4-17-16(3-1)18-19(26-17)20(22-13-21-18)23-15-5-8-24(9-6-15)11-14-7-10-25-12-14/h1-4,13-15H,5-12H2,(H,21,22,23)
InChIKeyCJFUCAYSRPJXIU-UHFFFAOYSA-N
XLogP3.29
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 133376280
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
CID 133286045
2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
CID 133496505
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2458302

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133305265) is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc2c(c1)oc1c(NC3CCN(CC4CCOC4)CC3)ncnc12.
What is the InChIKey of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is CJFUCAYSRPJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-4-17-16(3-1)18-19(26-17)20(22-13-21-18)23-15-5-8-24(9-6-15)11-14-7-10-25-12-14/h1-4,13-15H,5-12H2,(H,21,22,23).
What are the key properties of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133305265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).