4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C26H32N10O2 — CID 59244554

IUPAC4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C26H32N10O2/c1-33(19-3-2-4-20(15-19)34-9-6-28-7-10-34)26(37)36-8-5-21-22(18-16-29-24(27)30-17-18)31-25(32-23(21)36)35-11-13-38-14-12-35/h2-4,15-17,28H,5-14H2,1H3,(H2,27,29,30)
InChIKeyIEWMETCXMFMHJB-UHFFFAOYSA-N
MW516.61 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244554) has the molecular formula C26H32N10O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244554
Molecular FormulaC26H32N10O2
Molecular Weight516.61 g/mol
Exact Mass516.27
IUPAC Name4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C26H32N10O2/c1-33(19-3-2-4-20(15-19)34-9-6-28-7-10-34)26(37)36-8-5-21-22(18-16-29-24(27)30-17-18)31-25(32-23(21)36)35-11-13-38-14-12-35/h2-4,15-17,28H,5-14H2,1H3,(H2,27,29,30)
InChIKeyIEWMETCXMFMHJB-UHFFFAOYSA-N
XLogP1.38
TPSA128.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.61
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 71017236
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioic S-acid;benzamide
CID 87380318
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(piperazine-1-carbonyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide
CID 89191214
N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 154005637
5-[7-(2-fluoro-4-piperazin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 59244646
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-4-morpholin-4-ylbutane-1,2-dione
CID 67386325
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 59244512

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244554) is 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CN(C(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is IEWMETCXMFMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10O2/c1-33(19-3-2-4-20(15-19)34-9-6-28-7-10-34)26(37)36-8-5-21-22(18-16-29-24(27)30-17-18)31-25(32-23(21)36)35-11-13-38-14-12-35/h2-4,15-17,28H,5-14H2,1H3,(H2,27,29,30).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 516.61 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-N-methyl-2-morpholin-4-yl-N-(3-piperazin-1-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).