5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C26H31N9O — CID 59628469

IUPAC5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-n3ccc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1
InChIInChI=1S/C26H31N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-7,16-17H,8-15,18H2,1H3,(H2,27,28,29)
InChIKeyAHIXOMBYDBUJLA-UHFFFAOYSA-N
MW485.60 g/mol
LogP2.04
Rot. Bonds5

About 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 59628469) has the molecular formula C26H31N9O and a molecular weight of 485.60 g/mol. Its IUPAC name is 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID59628469
Molecular FormulaC26H31N9O
Molecular Weight485.60 g/mol
Exact Mass485.27
IUPAC Name5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-n3ccc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1
InChIInChI=1S/C26H31N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-7,16-17H,8-15,18H2,1H3,(H2,27,28,29)
InChIKeyAHIXOMBYDBUJLA-UHFFFAOYSA-N
XLogP2.04
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[7-[4-[[4-(4-fluorobutyl)piperazin-1-yl]methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 59628459
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
2-[4-[2-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]ethyl]piperazin-1-yl]acetaldehyde
CID 87380320
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-piperazin-1-ylmethanone
CID 70988826
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 68918086
4-(2-aminopyrimidin-5-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 70827824
5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 143808643
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 159335563
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 59628469) is 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is CN1CCN(Cc2ccc(-n3ccc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1.
What is the InChIKey of 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is AHIXOMBYDBUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-7,16-17H,8-15,18H2,1H3,(H2,27,28,29).
What are the key properties of 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 485.60 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 59628469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).