2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C14H17N9O — CID 51089181

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCN(CC(=O)NCCNc1ncccn1)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H17N9O/c1-23(13-11-12(20-8-19-11)21-9-22-13)7-10(24)15-5-6-18-14-16-3-2-4-17-14/h2-4,8-9H,5-7H2,1H3,(H,15,24)(H,16,17,18)(H,19,20,21,22)
InChIKeyYCFUXJXUHXTPBB-UHFFFAOYSA-N
MW327.35 g/mol
LogP-0.19
Rot. Bonds7

About 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 51089181) has the molecular formula C14H17N9O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
PubChem CID51089181
Molecular FormulaC14H17N9O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCN(CC(=O)NCCNc1ncccn1)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H17N9O/c1-23(13-11-12(20-8-19-11)21-9-22-13)7-10(24)15-5-6-18-14-16-3-2-4-17-14/h2-4,8-9H,5-7H2,1H3,(H,15,24)(H,16,17,18)(H,19,20,21,22)
InChIKeyYCFUXJXUHXTPBB-UHFFFAOYSA-N
XLogP-0.19
TPSA124.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 51089181) is 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is CN(CC(=O)NCCNc1ncccn1)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The InChIKey is YCFUXJXUHXTPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O/c1-23(13-11-12(20-8-19-11)21-9-22-13)7-10(24)15-5-6-18-14-16-3-2-4-17-14/h2-4,8-9H,5-7H2,1H3,(H,15,24)(H,16,17,18)(H,19,20,21,22).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 327.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 51089181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).