ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate

C14H24N4O2 — CID 80985906

IUPACethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
SMILESCCCc1nc(NC)c(C)c(NC(C)C(=O)OCC)n1
InChIInChI=1S/C14H24N4O2/c1-6-8-11-17-12(15-5)9(3)13(18-11)16-10(4)14(19)20-7-2/h10H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyKTCLXDKTRYNWIW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate

ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate (PubChem CID 80985906) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
PubChem CID80985906
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
SMILESCCCc1nc(NC)c(C)c(NC(C)C(=O)OCC)n1
InChIInChI=1S/C14H24N4O2/c1-6-8-11-17-12(15-5)9(3)13(18-11)16-10(4)14(19)20-7-2/h10H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyKTCLXDKTRYNWIW-UHFFFAOYSA-N
XLogP2.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate with MolForge

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Related Compounds

N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
CID 106347482
6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
CID 80991797
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
N-ethyl-N-methyl-2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 103113889
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate (CID 80985906) is ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate is CCCc1nc(NC)c(C)c(NC(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate?
The InChIKey is KTCLXDKTRYNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-8-11-17-12(15-5)9(3)13(18-11)16-10(4)14(19)20-7-2/h10H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate?
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80985906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).