N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H24N4O — CID 162647772

IUPACN-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C23H24N4O/c1-15(2)28-21-12-8-7-11-18(21)20-13-19-22(24-14-25-23(19)27-20)26-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H2,24,25,26,27)/t16-/m1/s1
InChIKeyMHEXUWRGFSBKJC-MRXNPFEDSA-N
MW372.47 g/mol
LogP5.59
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 162647772) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID162647772
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C23H24N4O/c1-15(2)28-21-12-8-7-11-18(21)20-13-19-22(24-14-25-23(19)27-20)26-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H2,24,25,26,27)/t16-/m1/s1
InChIKeyMHEXUWRGFSBKJC-MRXNPFEDSA-N
XLogP5.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 162647772) is N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)Oc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MHEXUWRGFSBKJC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)28-21-12-8-7-11-18(21)20-13-19-22(24-14-25-23(19)27-20)26-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H2,24,25,26,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162647772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).