2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide

C12H19N5O — CID 80993475

IUPAC2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCNc1nc(C2CC2)nc(N(C)CC(N)=O)c1C
InChIInChI=1S/C12H19N5O/c1-7-10(14-2)15-11(8-4-5-8)16-12(7)17(3)6-9(13)18/h8H,4-6H2,1-3H3,(H2,13,18)(H,14,15,16)
InChIKeySFSVWSATWLQGHJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.63
Rot. Bonds5

About 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide

2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 80993475) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
PubChem CID80993475
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCNc1nc(C2CC2)nc(N(C)CC(N)=O)c1C
InChIInChI=1S/C12H19N5O/c1-7-10(14-2)15-11(8-4-5-8)16-12(7)17(3)6-9(13)18/h8H,4-6H2,1-3H3,(H2,13,18)(H,14,15,16)
InChIKeySFSVWSATWLQGHJ-UHFFFAOYSA-N
XLogP0.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80983019
2-[cyanomethyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80976424
2-[cyclopentyl-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806649
2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80982764
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918467
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide (CID 80993475) is 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide is CNc1nc(C2CC2)nc(N(C)CC(N)=O)c1C.
What is the InChIKey of 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is SFSVWSATWLQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-10(14-2)15-11(8-4-5-8)16-12(7)17(3)6-9(13)18/h8H,4-6H2,1-3H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 80993475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).