ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate

C14H23N3O2 — CID 115967543

IUPACethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCC(CC)CC)nc1C
InChIInChI=1S/C14H23N3O2/c1-5-11(6-2)8-15-14-16-9-12(10(4)17-14)13(18)19-7-3/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPYWWSUZQFQRYKB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.81
Rot. Bonds7

About ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate

ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate (PubChem CID 115967543) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
PubChem CID115967543
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCC(CC)CC)nc1C
InChIInChI=1S/C14H23N3O2/c1-5-11(6-2)8-15-14-16-9-12(10(4)17-14)13(18)19-7-3/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPYWWSUZQFQRYKB-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
CID 83179670
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178152
ethyl 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178579
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-[(1-hydroxycyclopentyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 83180495
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
CID 103943012
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-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 114700911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate (CID 115967543) is ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCC(CC)CC)nc1C.
What is the InChIKey of ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate?
The InChIKey is PYWWSUZQFQRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11(6-2)8-15-14-16-9-12(10(4)17-14)13(18)19-7-3/h9,11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 115967543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).