2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

C12H21N5O — CID 113405780

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1nc(N)c(C)c(NCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-7(2)5-14-10(18)6-15-12-8(3)11(13)16-9(4)17-12/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17)
InChIKeyDUMKHTSHRORBMX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds5

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 113405780) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID113405780
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1nc(N)c(C)c(NCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-7(2)5-14-10(18)6-15-12-8(3)11(13)16-9(4)17-12/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17)
InChIKeyDUMKHTSHRORBMX-UHFFFAOYSA-N
XLogP0.86
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (CID 113405780) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is Cc1nc(N)c(C)c(NCC(=O)NCC(C)C)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is DUMKHTSHRORBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7(2)5-14-10(18)6-15-12-8(3)11(13)16-9(4)17-12/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113405780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).