3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

C12H21N5O — CID 106918505

IUPAC3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C)nc(NC)c1C
InChIInChI=1S/C12H21N5O/c1-8-11(14-4)15-9(2)16-12(8)17(5)7-6-10(18)13-3/h6-7H2,1-5H3,(H,13,18)(H,14,15,16)
InChIKeyKRHNHOUHINLNEQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds5

About 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918505) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106918505
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C)nc(NC)c1C
InChIInChI=1S/C12H21N5O/c1-8-11(14-4)15-9(2)16-12(8)17(5)7-6-10(18)13-3/h6-7H2,1-5H3,(H,13,18)(H,14,15,16)
InChIKeyKRHNHOUHINLNEQ-UHFFFAOYSA-N
XLogP0.71
TPSA70.15 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 106918503
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
3-[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]propanoic acid
CID 122059415
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918467
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 106918543
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918806

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 106918505) is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc(C)nc(NC)c1C.
What is the InChIKey of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is KRHNHOUHINLNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-11(14-4)15-9(2)16-12(8)17(5)7-6-10(18)13-3/h6-7H2,1-5H3,(H,13,18)(H,14,15,16).
What are the key properties of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).