ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate

C15H18N4O2 — CID 114700911

IUPACethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccncc2C)nc1C
InChIInChI=1S/C15H18N4O2/c1-4-21-14(20)13-9-18-15(19-11(13)3)17-8-12-5-6-16-7-10(12)2/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyWTDGVXZBWHSJSW-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate (PubChem CID 114700911) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
PubChem CID114700911
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccncc2C)nc1C
InChIInChI=1S/C15H18N4O2/c1-4-21-14(20)13-9-18-15(19-11(13)3)17-8-12-5-6-16-7-10(12)2/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyWTDGVXZBWHSJSW-UHFFFAOYSA-N
XLogP2.28
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
CID 103943012
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606
ethyl 4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylate
CID 126835547
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate (CID 114700911) is ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCc2ccncc2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate?
The InChIKey is WTDGVXZBWHSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-14(20)13-9-18-15(19-11(13)3)17-8-12-5-6-16-7-10(12)2/h5-7,9H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate has a molecular weight of 286.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 114700911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).