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

C14H16N4O2 — CID 82739095

IUPACmethyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
SMILESCCc1cccnc1CNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C14H16N4O2/c1-3-10-5-4-7-15-11(10)9-17-12-6-8-16-13(18-12)14(19)20-2/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyNWPCGZODABNZBX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.83
Rot. Bonds5

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

methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate (PubChem CID 82739095) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
PubChem CID82739095
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
SMILESCCc1cccnc1CNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C14H16N4O2/c1-3-10-5-4-7-15-11(10)9-17-12-6-8-16-13(18-12)14(19)20-2/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyNWPCGZODABNZBX-UHFFFAOYSA-N
XLogP1.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate
CID 66286447
methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 82732224
methyl 4-[(2,4-difluorophenyl)methylamino]pyrimidine-2-carboxylate
CID 66285457
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
methyl 4-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284657
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
2-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324453
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate (CID 82739095) is methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate is CCc1cccnc1CNc1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is NWPCGZODABNZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-10-5-4-7-15-11(10)9-17-12-6-8-16-13(18-12)14(19)20-2/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate?
methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 82739095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).