2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C19H17N3O — CID 6546765

IUPAC2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H17N3O/c1-12(14-8-4-3-5-9-14)20-19-18-17(21-13(2)22-19)15-10-6-7-11-16(15)23-18/h3-12H,1-2H3,(H,20,21,22)/t12-/m0/s1
InChIKeyWGFCGMSZEPNYPI-LBPRGKRZSA-N
MW303.37 g/mol
LogP4.86
Rot. Bonds3

About 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 6546765) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID6546765
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2ccccc2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H17N3O/c1-12(14-8-4-3-5-9-14)20-19-18-17(21-13(2)22-19)15-10-6-7-11-16(15)23-18/h3-12H,1-2H3,(H,20,21,22)/t12-/m0/s1
InChIKeyWGFCGMSZEPNYPI-LBPRGKRZSA-N
XLogP4.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546749
(2R)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 943812
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1394504
2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2063127
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
2-[[[(1S)-1-phenylethyl]amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135734957
(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate
CID 7177417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 6546765) is 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(N[C@@H](C)c2ccccc2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is WGFCGMSZEPNYPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12(14-8-4-3-5-9-14)20-19-18-17(21-13(2)22-19)15-10-6-7-11-16(15)23-18/h3-12H,1-2H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 6546765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).