ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate

C14H24N4O3 — CID 83178869

IUPACethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCN(C)CCOC)nc1C
InChIInChI=1S/C14H24N4O3/c1-5-21-13(19)12-10-16-14(17-11(12)2)15-6-7-18(3)8-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyHNSAKMYHWNBGRD-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.95
Rot. Bonds9

About ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate (PubChem CID 83178869) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
PubChem CID83178869
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCN(C)CCOC)nc1C
InChIInChI=1S/C14H24N4O3/c1-5-21-13(19)12-10-16-14(17-11(12)2)15-6-7-18(3)8-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyHNSAKMYHWNBGRD-UHFFFAOYSA-N
XLogP0.95
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 62844186
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83179837
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate (CID 83178869) is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCCN(C)CCOC)nc1C.
What is the InChIKey of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is HNSAKMYHWNBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-13(19)12-10-16-14(17-11(12)2)15-6-7-18(3)8-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83178869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).