3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C12H21N5O — CID 106280606

IUPAC3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)c1nc(N)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-7(2)10-16-8(13)5-9(17-10)15-6-12(3,4)11(14)18/h5,7H,6H2,1-4H3,(H2,14,18)(H3,13,15,16,17)
InChIKeyFCGPPWSEJREKRA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds5

About 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106280606) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID106280606
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)c1nc(N)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-7(2)10-16-8(13)5-9(17-10)15-6-12(3,4)11(14)18/h5,7H,6H2,1-4H3,(H2,14,18)(H3,13,15,16,17)
InChIKeyFCGPPWSEJREKRA-UHFFFAOYSA-N
XLogP1.11
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
3-[(6-amino-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106280453
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106280078
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
methyl 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80961310
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 106280606) is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)c1nc(N)cc(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is FCGPPWSEJREKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7(2)10-16-8(13)5-9(17-10)15-6-12(3,4)11(14)18/h5,7H,6H2,1-4H3,(H2,14,18)(H3,13,15,16,17).
What are the key properties of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).