1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C16H21N7O — CID 117090057

IUPAC1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cnc(Nc2cnccn2)nc1NCCCN1CCCC1=O
InChIInChI=1S/C16H21N7O/c1-12-10-20-16(21-13-11-17-6-7-18-13)22-15(12)19-5-3-9-23-8-2-4-14(23)24/h6-7,10-11H,2-5,8-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyWZWBOARDJGEXNM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.74
Rot. Bonds7

About 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117090057) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117090057
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cnc(Nc2cnccn2)nc1NCCCN1CCCC1=O
InChIInChI=1S/C16H21N7O/c1-12-10-20-16(21-13-11-17-6-7-18-13)22-15(12)19-5-3-9-23-8-2-4-14(23)24/h6-7,10-11H,2-5,8-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyWZWBOARDJGEXNM-UHFFFAOYSA-N
XLogP1.74
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 117090057) is 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Cc1cnc(Nc2cnccn2)nc1NCCCN1CCCC1=O.
What is the InChIKey of 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is WZWBOARDJGEXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-12-10-20-16(21-13-11-17-6-7-18-13)22-15(12)19-5-3-9-23-8-2-4-14(23)24/h6-7,10-11H,2-5,8-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).