3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide

C12H21N5O2 — CID 106280657

IUPAC3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(N)=O)c1OC
InChIInChI=1S/C12H21N5O2/c1-5-14-9-8(19-4)10(17-7-16-9)15-6-12(2,3)11(13)18/h7H,5-6H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyCMBKWUMPTUBADO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.84
Rot. Bonds7

About 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide

3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280657) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280657
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(N)=O)c1OC
InChIInChI=1S/C12H21N5O2/c1-5-14-9-8(19-4)10(17-7-16-9)15-6-12(2,3)11(13)18/h7H,5-6H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyCMBKWUMPTUBADO-UHFFFAOYSA-N
XLogP0.84
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide (CID 106280657) is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide is CCNc1ncnc(NCC(C)(C)C(N)=O)c1OC.
What is the InChIKey of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is CMBKWUMPTUBADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-14-9-8(19-4)10(17-7-16-9)15-6-12(2,3)11(13)18/h7H,5-6H2,1-4H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).