7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C30H31N5O3 — CID 51699732

IUPAC7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H](c4ccco4)N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C30H31N5O3/c1-2-37-24-12-10-23(11-13-24)35-20-25(22-7-4-3-5-8-22)28-29(32-21-33-30(28)35)31-19-26(27-9-6-16-38-27)34-14-17-36-18-15-34/h3-13,16,20-21,26H,2,14-15,17-19H2,1H3,(H,31,32,33)/t26-/m0/s1
InChIKeyOIAUIXFTAOFKPX-SANMLTNESA-N
MW509.61 g/mol
LogP5.56
Rot. Bonds9

About 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 51699732) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID51699732
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC Name7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H](c4ccco4)N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C30H31N5O3/c1-2-37-24-12-10-23(11-13-24)35-20-25(22-7-4-3-5-8-22)28-29(32-21-33-30(28)35)31-19-26(27-9-6-16-38-27)34-14-17-36-18-15-34/h3-13,16,20-21,26H,2,14-15,17-19H2,1H3,(H,31,32,33)/t26-/m0/s1
InChIKeyOIAUIXFTAOFKPX-SANMLTNESA-N
XLogP5.56
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136488
N-benzyl-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136490
N'-[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 51064985
2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 23766367
N-[(3-chlorophenyl)methyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136492
N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4125132
7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3544873
7-(4-ethoxyphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4080784
7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3375228
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
7-(4-ethoxyphenyl)-5-phenyl-4-[(1R)-1-phenylethyl]sulfanylpyrrolo[2,3-d]pyrimidine
CID 27319071
5-(4-ethoxyphenyl)-7-(3-methylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 46241474

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 51699732) is 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H](c4ccco4)N4CCOCC4)ncnc32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OIAUIXFTAOFKPX-SANMLTNESA-N. The full InChI is InChI=1S/C30H31N5O3/c1-2-37-24-12-10-23(11-13-24)35-20-25(22-7-4-3-5-8-22)28-29(32-21-33-30(28)35)31-19-26(27-9-6-16-38-27)34-14-17-36-18-15-34/h3-13,16,20-21,26H,2,14-15,17-19H2,1H3,(H,31,32,33)/t26-/m0/s1.
What are the key properties of 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 509.61 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 51699732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).