N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C18H23N3O — CID 2311028

IUPACN-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCC[C@@H](CC)CNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H23N3O/c1-3-5-8-13(4-2)11-19-18-17-16(20-12-21-18)14-9-6-7-10-15(14)22-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyGYGTUGBIBDDZDX-CYBMUJFWSA-N
MW297.40 g/mol
LogP5.00
Rot. Bonds7

About N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2311028) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2311028
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCCC[C@@H](CC)CNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H23N3O/c1-3-5-8-13(4-2)11-19-18-17-16(20-12-21-18)14-9-6-7-10-15(14)22-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyGYGTUGBIBDDZDX-CYBMUJFWSA-N
XLogP5.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
methyl 2-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-(4-hydroxyphenyl)propanoate
CID 133312850
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 41194411
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346983
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346583

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2311028) is N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCCC[C@@H](CC)CNc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is GYGTUGBIBDDZDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-5-8-13(4-2)11-19-18-17-16(20-12-21-18)14-9-6-7-10-15(14)22-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2311028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).