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

C22H23N5O — CID 69235426

IUPAC6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]c(-c3ccc(OCCN)cc3)cc12)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-15(16-5-3-2-4-6-16)26-21-19-13-20(27-22(19)25-14-24-21)17-7-9-18(10-8-17)28-12-11-23/h2-10,13-15H,11-12,23H2,1H3,(H2,24,25,26,27)
InChIKeyCKUUBWHLRHGNOZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.14
Rot. Bonds7

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

6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69235426) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69235426
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]c(-c3ccc(OCCN)cc3)cc12)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-15(16-5-3-2-4-6-16)26-21-19-13-20(27-22(19)25-14-24-21)17-7-9-18(10-8-17)28-12-11-23/h2-10,13-15H,11-12,23H2,1H3,(H2,24,25,26,27)
InChIKeyCKUUBWHLRHGNOZ-UHFFFAOYSA-N
XLogP4.14
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-3-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]propanamide
CID 24900445
methyl 4-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]butanoate
CID 69234366
ethyl 7-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]heptanoate
CID 69231840
7-[3-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]propylamino]heptanoic acid
CID 91261960
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 57401512
methyl 7-[3-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]propylamino]heptanoate
CID 69234367
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284
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
N-(1-phenylethyl)-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174456325
2-[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]acetic acid
CID 69235434
N-(1-phenylethyl)-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69232929
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69235426) is 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2[nH]c(-c3ccc(OCCN)cc3)cc12)c1ccccc1.
What is the InChIKey of 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CKUUBWHLRHGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(16-5-3-2-4-6-16)26-21-19-13-20(27-22(19)25-14-24-21)17-7-9-18(10-8-17)28-12-11-23/h2-10,13-15H,11-12,23H2,1H3,(H2,24,25,26,27).
What are the key properties of 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69235426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).