3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C12H19ClN4O — CID 114167654

IUPAC3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCc1c(Cl)ncnc1NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H19ClN4O/c1-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyLPEHCYQJMVTUKS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.88
Rot. Bonds5

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

3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 114167654) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID114167654
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCc1c(Cl)ncnc1NCC(C)(C)C(=O)NC
InChIInChI=1S/C12H19ClN4O/c1-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyLPEHCYQJMVTUKS-UHFFFAOYSA-N
XLogP1.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 103823307
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 114167654) is 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CCc1c(Cl)ncnc1NCC(C)(C)C(=O)NC.
What is the InChIKey of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is LPEHCYQJMVTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).