2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

C21H22N4O2 — CID 56751024

IUPAC2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OC(CN1CCc3onc(-c4ccccc4)c3C1)C2
InChIInChI=1S/C21H22N4O2/c1-13-17-10-16(26-21(17)23-14(2)22-13)11-25-9-8-19-18(12-25)20(24-27-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChIKeyGIYSYHCSNFXUFI-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds3

About 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 56751024) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID56751024
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OC(CN1CCc3onc(-c4ccccc4)c3C1)C2
InChIInChI=1S/C21H22N4O2/c1-13-17-10-16(26-21(17)23-14(2)22-13)11-25-9-8-19-18(12-25)20(24-27-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChIKeyGIYSYHCSNFXUFI-UHFFFAOYSA-N
XLogP3.11
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 97273125
6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 56747042
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56743156
2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 134705528
[4-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 91836749
3-(3,4-difluorophenyl)-5-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226664
3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226663
acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 163334632
(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 27376638
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-1,3-oxazolidin-2-one
CID 56756683
5-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188870
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (CID 56751024) is 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)OC(CN1CCc3onc(-c4ccccc4)c3C1)C2.
What is the InChIKey of 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is GIYSYHCSNFXUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-17-10-16(26-21(17)23-14(2)22-13)11-25-9-8-19-18(12-25)20(24-27-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 362.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 56751024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).