8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H14ClN5O — CID 70988518

IUPAC8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CC2[C@H]1CN2c1nc(N)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C15H14ClN5O/c1-20-5-10-9(20)6-21(10)14-13-12(18-15(17)19-14)8-4-7(16)2-3-11(8)22-13/h2-4,9-10H,5-6H2,1H3,(H2,17,18,19)/t9-,10?/m1/s1
InChIKeyGIFFMMYKUARCQK-YHMJZVADSA-N
MW315.76 g/mol
LogP2.11
Rot. Bonds1

About 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 70988518) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID70988518
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CC2[C@H]1CN2c1nc(N)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C15H14ClN5O/c1-20-5-10-9(20)6-21(10)14-13-12(18-15(17)19-14)8-4-7(16)2-3-11(8)22-13/h2-4,9-10H,5-6H2,1H3,(H2,17,18,19)/t9-,10?/m1/s1
InChIKeyGIFFMMYKUARCQK-YHMJZVADSA-N
XLogP2.11
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 70988518) is 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN1CC2[C@H]1CN2c1nc(N)nc2c1oc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is GIFFMMYKUARCQK-YHMJZVADSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-20-5-10-9(20)6-21(10)14-13-12(18-15(17)19-14)8-4-7(16)2-3-11(8)22-13/h2-4,9-10H,5-6H2,1H3,(H2,17,18,19)/t9-,10?/m1/s1.
What are the key properties of 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 315.76 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 70988518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).