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

C20H18N4O — CID 90977535

IUPAC4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESC[C@@H](Nc1ncc2cc(-c3ccc(O)cc3)[nH]c2n1)c1ccccc1
InChIInChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)22-20-21-12-16-11-18(23-19(16)24-20)15-7-9-17(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeyRODSJOPUWVYKNK-CYBMUJFWSA-N
MW330.39 g/mol
LogP4.50
Rot. Bonds4

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

4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 90977535) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
PubChem CID90977535
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESC[C@@H](Nc1ncc2cc(-c3ccc(O)cc3)[nH]c2n1)c1ccccc1
InChIInChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)22-20-21-12-16-11-18(23-19(16)24-20)15-7-9-17(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeyRODSJOPUWVYKNK-CYBMUJFWSA-N
XLogP4.50
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(1R)-1-phenylethyl]amino]-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
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
4-[4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56649641
4-[2-amino-4-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 151117683
8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
CID 147935865
4-[4-[[(1R)-1-phenylpropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 56935103
N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
CID 135281122
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69235426
2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 129283446

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (CID 90977535) is 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is C[C@@H](Nc1ncc2cc(-c3ccc(O)cc3)[nH]c2n1)c1ccccc1.
What is the InChIKey of 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is RODSJOPUWVYKNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)22-20-21-12-16-11-18(23-19(16)24-20)15-7-9-17(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 90977535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).