ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate

C20H26N6O2 — CID 19147410

IUPACethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(N3CCCc4ccccc43)c2N)CC1
InChIInChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-10-24(11-13-25)18-17(21)19(23-14-22-18)26-9-5-7-15-6-3-4-8-16(15)26/h3-4,6,8,14H,2,5,7,9-13,21H2,1H3
InChIKeyAVOVIYNVISGXRD-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.42
Rot. Bonds3

About ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 19147410) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID19147410
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Nameethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(N3CCCc4ccccc43)c2N)CC1
InChIInChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-10-24(11-13-25)18-17(21)19(23-14-22-18)26-9-5-7-15-6-3-4-8-16(15)26/h3-4,6,8,14H,2,5,7,9-13,21H2,1H3
InChIKeyAVOVIYNVISGXRD-UHFFFAOYSA-N
XLogP2.42
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19147413
ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923366
ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 22543201
ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147050
ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109194191
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
ethyl 4-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108834975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate (CID 19147410) is ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc(N3CCCc4ccccc43)c2N)CC1.
What is the InChIKey of ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is AVOVIYNVISGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-10-24(11-13-25)18-17(21)19(23-14-22-18)26-9-5-7-15-6-3-4-8-16(15)26/h3-4,6,8,14H,2,5,7,9-13,21H2,1H3.
What are the key properties of ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 19147410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).