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

C22H23N5 — CID 10155284

IUPAC6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)cc1
InChIInChI=1S/C22H23N5/c1-15(17-6-4-3-5-7-17)26-21-19-12-20(27-22(19)25-14-24-21)18-10-8-16(9-11-18)13-23-2/h3-12,14-15,23H,13H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
InChIKeyNXUOBBWDWKSWQF-OAHLLOKOSA-N
MW357.46 g/mol
LogP4.52
Rot. Bonds6

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

6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10155284) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10155284
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)cc1
InChIInChI=1S/C22H23N5/c1-15(17-6-4-3-5-7-17)26-21-19-12-20(27-22(19)25-14-24-21)18-10-8-16(9-11-18)13-23-2/h3-12,14-15,23H,13H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
InChIKeyNXUOBBWDWKSWQF-OAHLLOKOSA-N
XLogP4.52
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10155284) is 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CNCc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)cc1.
What is the InChIKey of 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NXUOBBWDWKSWQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5/c1-15(17-6-4-3-5-7-17)26-21-19-12-20(27-22(19)25-14-24-21)18-10-8-16(9-11-18)13-23-2/h3-12,14-15,23H,13H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1.
What are the key properties of 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10155284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).