methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate

C16H23N5O2 — CID 126820911

IUPACmethyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCN1CCCCC1CNc1ccn2c(C(=O)OC)cnc2n1
InChIInChI=1S/C16H23N5O2/c1-3-20-8-5-4-6-12(20)10-17-14-7-9-21-13(15(22)23-2)11-18-16(21)19-14/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,17,18,19)
InChIKeyYWYCEQMREDKHHA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.80
Rot. Bonds5

About methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate

methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate (PubChem CID 126820911) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate
PubChem CID126820911
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Namemethyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate
SMILESCCN1CCCCC1CNc1ccn2c(C(=O)OC)cnc2n1
InChIInChI=1S/C16H23N5O2/c1-3-20-8-5-4-6-12(20)10-17-14-7-9-21-13(15(22)23-2)11-18-16(21)19-14/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,17,18,19)
InChIKeyYWYCEQMREDKHHA-UHFFFAOYSA-N
XLogP1.80
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 126806914
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140229
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate (CID 126820911) is methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate is CCN1CCCCC1CNc1ccn2c(C(=O)OC)cnc2n1.
What is the InChIKey of methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is YWYCEQMREDKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-20-8-5-4-6-12(20)10-17-14-7-9-21-13(15(22)23-2)11-18-16(21)19-14/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate?
methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 126820911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).