2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide

C12H21N5O — CID 80808785

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)nc(N)c1C
InChIInChI=1S/C12H21N5O/c1-5-6-14-10(18)7-17(4)12-8(2)11(13)15-9(3)16-12/h5-7H2,1-4H3,(H,14,18)(H2,13,15,16)
InChIKeyAKOKDYTZUNLUIJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.64
Rot. Bonds5

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 80808785) 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)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID80808785
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)nc(N)c1C
InChIInChI=1S/C12H21N5O/c1-5-6-14-10(18)7-17(4)12-8(2)11(13)15-9(3)16-12/h5-7H2,1-4H3,(H,14,18)(H2,13,15,16)
InChIKeyAKOKDYTZUNLUIJ-UHFFFAOYSA-N
XLogP0.64
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 80808785) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(C)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is AKOKDYTZUNLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-6-14-10(18)7-17(4)12-8(2)11(13)15-9(3)16-12/h5-7H2,1-4H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 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)-methylamino]-N-propylacetamide is sourced from PubChem (CID 80808785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).