5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine

C22H21N9O — CID 134518676

IUPAC5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(c1cn(-c2ccccc2)nn1)n1cc(-c2cncnc2OC)c2c(N)ncnc21
InChIInChI=1S/C22H21N9O/c1-3-18(17-11-31(29-28-17)14-7-5-4-6-8-14)30-10-16(15-9-24-12-27-22(15)32-2)19-20(23)25-13-26-21(19)30/h4-13,18H,3H2,1-2H3,(H2,23,25,26)
InChIKeyZXHOYPCWLKDDRG-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.06
Rot. Bonds6

About 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine

5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134518676) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134518676
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(c1cn(-c2ccccc2)nn1)n1cc(-c2cncnc2OC)c2c(N)ncnc21
InChIInChI=1S/C22H21N9O/c1-3-18(17-11-31(29-28-17)14-7-5-4-6-8-14)30-10-16(15-9-24-12-27-22(15)32-2)19-20(23)25-13-26-21(19)30/h4-13,18H,3H2,1-2H3,(H2,23,25,26)
InChIKeyZXHOYPCWLKDDRG-UHFFFAOYSA-N
XLogP3.06
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

7-[1-[1-(3,4-difluorophenyl)triazol-4-yl]propyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518648
7-[1-[1-(2,4-difluorophenyl)triazol-4-yl]propyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518594
7-[(1S)-1-[1-(2,4-difluorophenyl)triazol-4-yl]propyl]-5-(5-fluoro-6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518581
7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 142354847
7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]-5-(4-methoxypyrimidin-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518878
5-[6-(difluoromethoxy)-3-pyridinyl]-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518645
7-[(1R)-1-[1-(2-fluorophenyl)triazol-4-yl]propyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518679
4-chloro-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]-5-(3-methoxypyrazin-2-yl)pyrrolo[2,3-d]pyrimidine
CID 134518812
7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518771
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
7-[1-[1-(3,4-difluorophenyl)diazet-1-ium-3-yl]propyl]-5-(5-fluoro-6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 142354882
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 134518676) is 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine is CCC(c1cn(-c2ccccc2)nn1)n1cc(-c2cncnc2OC)c2c(N)ncnc21.
What is the InChIKey of 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZXHOYPCWLKDDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O/c1-3-18(17-11-31(29-28-17)14-7-5-4-6-8-14)30-10-16(15-9-24-12-27-22(15)32-2)19-20(23)25-13-26-21(19)30/h4-13,18H,3H2,1-2H3,(H2,23,25,26).
What are the key properties of 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 427.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrimidin-5-yl)-7-[1-(1-phenyltriazol-4-yl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134518676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).