methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate

C19H21N5O3 — CID 17228548

IUPACmethyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOc1cccc2c(C)nc(Nc3nc(C)c(C(=O)OC)c(C)n3)nc12
InChIInChI=1S/C19H21N5O3/c1-6-27-14-9-7-8-13-10(2)20-19(23-16(13)14)24-18-21-11(3)15(12(4)22-18)17(25)26-5/h7-9H,6H2,1-5H3,(H,20,21,22,23,24)
InChIKeyUHFIVSAPNZDDGC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.27
Rot. Bonds5

About methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate

methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate (PubChem CID 17228548) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
PubChem CID17228548
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOc1cccc2c(C)nc(Nc3nc(C)c(C(=O)OC)c(C)n3)nc12
InChIInChI=1S/C19H21N5O3/c1-6-27-14-9-7-8-13-10(2)20-19(23-16(13)14)24-18-21-11(3)15(12(4)22-18)17(25)26-5/h7-9H,6H2,1-5H3,(H,20,21,22,23,24)
InChIKeyUHFIVSAPNZDDGC-UHFFFAOYSA-N
XLogP3.27
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate with MolForge

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Related Compounds

1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
CID 17228638
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996088
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502797
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 17228645
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate (CID 17228548) is methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate is CCOc1cccc2c(C)nc(Nc3nc(C)c(C(=O)OC)c(C)n3)nc12.
What is the InChIKey of methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate?
The InChIKey is UHFIVSAPNZDDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-6-27-14-9-7-8-13-10(2)20-19(23-16(13)14)24-18-21-11(3)15(12(4)22-18)17(25)26-5/h7-9H,6H2,1-5H3,(H,20,21,22,23,24).
What are the key properties of methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate?
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate is sourced from PubChem (CID 17228548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).