methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate

C14H22N4O2 — CID 66286445

IUPACmethyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCCN1CCCC(Nc2cc(C)nc(C(=O)OC)n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-18-7-5-6-11(9-18)16-12-8-10(2)15-13(17-12)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyIQCOJZHNIIYRHQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.47
Rot. Bonds4

About methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate

methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66286445) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
PubChem CID66286445
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCCN1CCCC(Nc2cc(C)nc(C(=O)OC)n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-18-7-5-6-11(9-18)16-12-8-10(2)15-13(17-12)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyIQCOJZHNIIYRHQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66285041
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378414
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
CID 66285279
1-(3,4-dichlorophenyl)-2-[4-[[(3R)-1-ethylpiperidin-3-yl]amino]-6-methylpyrimidin-2-yl]guanidine
CID 122461503
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate (CID 66286445) is methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate is CCN1CCCC(Nc2cc(C)nc(C(=O)OC)n2)C1.
What is the InChIKey of methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is IQCOJZHNIIYRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18-7-5-6-11(9-18)16-12-8-10(2)15-13(17-12)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).