4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C23H24N6O3 — CID 175060460

IUPAC4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(CN2C(=O)Cc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H24N6O3/c1-31-17-5-2-15(3-6-17)14-29-20(30)12-18-21(16-4-7-19(24)25-13-16)26-23(27-22(18)29)28-8-10-32-11-9-28/h2-7,13H,8-12,14H2,1H3,(H2,24,25)
InChIKeyPKTYJOPOHPPGJB-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.06
Rot. Bonds5

About 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 175060460) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID175060460
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(CN2C(=O)Cc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H24N6O3/c1-31-17-5-2-15(3-6-17)14-29-20(30)12-18-21(16-4-7-19(24)25-13-16)26-23(27-22(18)29)28-8-10-32-11-9-28/h2-7,13H,8-12,14H2,1H3,(H2,24,25)
InChIKeyPKTYJOPOHPPGJB-UHFFFAOYSA-N
XLogP2.06
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[7-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetamide
CID 175062797
4-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-5-amine
CID 59507841
N,N-bis[(4-methoxyphenyl)methyl]-5-[7-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385516
5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 67386401
4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbenzoic acid
CID 67385396
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
N,N-bis[(4-methoxyphenyl)methyl]-5-[2-morpholin-4-yl-7-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385447
N,N-bis[(4-methoxyphenyl)methyl]-5-[7-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67386413
[4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67385531
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
N,N-bis[(4-methoxyphenyl)methyl]-5-[2-morpholin-4-yl-7-(3-nitrophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385617
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
CID 145100338

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 175060460) is 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(CN2C(=O)Cc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PKTYJOPOHPPGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-31-17-5-2-15(3-6-17)14-29-20(30)12-18-21(16-4-7-19(24)25-13-16)26-23(27-22(18)29)28-8-10-32-11-9-28/h2-7,13H,8-12,14H2,1H3,(H2,24,25).
What are the key properties of 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 432.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-7-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 175060460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).