2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide

C11H20N6O — CID 113293339

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
SMILESCNc1cc(NCC(=O)NC(C)(C)C)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-11(2,3)17-9(18)6-14-8-5-7(13-4)15-10(12)16-8/h5H,6H2,1-4H3,(H,17,18)(H4,12,13,14,15,16)
InChIKeyJSTCANAMDVVUBA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.43
Rot. Bonds4

About 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide (PubChem CID 113293339) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
PubChem CID113293339
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
SMILESCNc1cc(NCC(=O)NC(C)(C)C)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-11(2,3)17-9(18)6-14-8-5-7(13-4)15-10(12)16-8/h5H,6H2,1-4H3,(H,17,18)(H4,12,13,14,15,16)
InChIKeyJSTCANAMDVVUBA-UHFFFAOYSA-N
XLogP0.43
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114565571
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
CID 58679014
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80778887
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
N-tert-butyl-2-[(6-hydrazinylpyrazin-2-yl)amino]acetamide
CID 115357509
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide (CID 113293339) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide is CNc1cc(NCC(=O)NC(C)(C)C)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The InChIKey is JSTCANAMDVVUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-11(2,3)17-9(18)6-14-8-5-7(13-4)15-10(12)16-8/h5H,6H2,1-4H3,(H,17,18)(H4,12,13,14,15,16).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).