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

C17H14N4O — CID 41194411

IUPACN-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccn1
InChIInChI=1S/C17H14N4O/c1-11(13-7-4-5-9-18-13)21-17-16-15(19-10-20-17)12-6-2-3-8-14(12)22-16/h2-11H,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyHISBDVMUSPUWSM-LLVKDONJSA-N
MW290.33 g/mol
LogP3.94
Rot. Bonds3

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

N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 41194411) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID41194411
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccn1
InChIInChI=1S/C17H14N4O/c1-11(13-7-4-5-9-18-13)21-17-16-15(19-10-20-17)12-6-2-3-8-14(12)22-16/h2-11H,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyHISBDVMUSPUWSM-LLVKDONJSA-N
XLogP3.94
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133327160
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9116594
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
CID 133406905
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2311028
N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 138043444
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 41194411) is N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is HISBDVMUSPUWSM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11(13-7-4-5-9-18-13)21-17-16-15(19-10-20-17)12-6-2-3-8-14(12)22-16/h2-11H,1H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 41194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).