2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide

C12H21N5O — CID 80981514

IUPAC2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(C(C)(C)C)nc(NCC(N)=O)c1C
InChIInChI=1S/C12H21N5O/c1-7-9(14-5)16-11(12(2,3)4)17-10(7)15-6-8(13)18/h6H2,1-5H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyDORBKTPOYQEGEH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds4

About 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide

2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80981514) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80981514
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(C(C)(C)C)nc(NCC(N)=O)c1C
InChIInChI=1S/C12H21N5O/c1-7-9(14-5)16-11(12(2,3)4)17-10(7)15-6-8(13)18/h6H2,1-5H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyDORBKTPOYQEGEH-UHFFFAOYSA-N
XLogP1.02
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188
2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 80981186
2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241770
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
2-tert-butyl-4-N-[2-(diethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981478

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide (CID 80981514) is 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide is CNc1nc(C(C)(C)C)nc(NCC(N)=O)c1C.
What is the InChIKey of 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is DORBKTPOYQEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7-9(14-5)16-11(12(2,3)4)17-10(7)15-6-8(13)18/h6H2,1-5H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80981514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).