3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C13H23N5O — CID 106280798

IUPAC3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-8(2)9-10(14)17-7-18-11(9)16-6-13(3,4)12(19)15-5/h7-8H,6H2,1-5H3,(H,15,19)(H3,14,16,17,18)
InChIKeyVNJXLPJGGFSSSM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.37
Rot. Bonds5

About 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280798) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280798
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-8(2)9-10(14)17-7-18-11(9)16-6-13(3,4)12(19)15-5/h7-8H,6H2,1-5H3,(H,15,19)(H3,14,16,17,18)
InChIKeyVNJXLPJGGFSSSM-UHFFFAOYSA-N
XLogP1.37
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767834
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80851821

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106280798) is 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncnc(N)c1C(C)C.
What is the InChIKey of 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is VNJXLPJGGFSSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)9-10(14)17-7-18-11(9)16-6-13(3,4)12(19)15-5/h7-8H,6H2,1-5H3,(H,15,19)(H3,14,16,17,18).
What are the key properties of 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).