4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol

C20H18N4O — CID 151117683

IUPAC4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESC[C@H](c1ccccc1)c1nc(N)nc2[nH]c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C20H18N4O/c1-12(13-5-3-2-4-6-13)18-16-11-17(14-7-9-15(25)10-8-14)22-19(16)24-20(21)23-18/h2-12,25H,1H3,(H3,21,22,23,24)/t12-/m1/s1
InChIKeyMRMYLNJAFSSSTG-GFCCVEGCSA-N
MW330.39 g/mol
LogP4.06
Rot. Bonds3

About 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol

4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 151117683) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
PubChem CID151117683
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESC[C@H](c1ccccc1)c1nc(N)nc2[nH]c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C20H18N4O/c1-12(13-5-3-2-4-6-13)18-16-11-17(14-7-9-15(25)10-8-14)22-19(16)24-20(21)23-18/h2-12,25H,1H3,(H3,21,22,23,24)/t12-/m1/s1
InChIKeyMRMYLNJAFSSSTG-GFCCVEGCSA-N
XLogP4.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol with MolForge

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Related Compounds

4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 57401512
4-[4-[[(1R)-1-phenylpropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 56935103
4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 90977535
4-[4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56649641
6-(1-phenylethyl)phenanthridine
CID 154722213
4-(2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzaldehyde
CID 90071787
4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 134149549
4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
CID 136883787
6-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-phenyl-4-N-[(1S)-1-phenylethyl]-2-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143080943
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284
2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 163374057
2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91339578

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (CID 151117683) is 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is C[C@H](c1ccccc1)c1nc(N)nc2[nH]c(-c3ccc(O)cc3)cc12.
What is the InChIKey of 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is MRMYLNJAFSSSTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12(13-5-3-2-4-6-13)18-16-11-17(14-7-9-15(25)10-8-14)22-19(16)24-20(21)23-18/h2-12,25H,1H3,(H3,21,22,23,24)/t12-/m1/s1.
What are the key properties of 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 151117683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).