ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate

C19H20BrN5O3 — CID 155666412

IUPACethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CCOc2cc(Br)cc3c(C)ncnc23)nc1
InChIInChI=1S/C19H20BrN5O3/c1-4-27-18(26)13-9-21-19(22-10-13)25(3)5-6-28-16-8-14(20)7-15-12(2)23-11-24-17(15)16/h7-11H,4-6H2,1-3H3
InChIKeyMMUYFPCSOIPUAD-UHFFFAOYSA-N
MW446.31 g/mol
LogP3.18
Rot. Bonds7

About ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate

ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate (PubChem CID 155666412) has the molecular formula C19H20BrN5O3 and a molecular weight of 446.31 g/mol. Its IUPAC name is ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate
PubChem CID155666412
Molecular FormulaC19H20BrN5O3
Molecular Weight446.31 g/mol
Exact Mass445.07
IUPAC Nameethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CCOc2cc(Br)cc3c(C)ncnc23)nc1
InChIInChI=1S/C19H20BrN5O3/c1-4-27-18(26)13-9-21-19(22-10-13)25(3)5-6-28-16-8-14(20)7-15-12(2)23-11-24-17(15)16/h7-11H,4-6H2,1-3H3
InChIKeyMMUYFPCSOIPUAD-UHFFFAOYSA-N
XLogP3.18
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate (CID 155666412) is ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)CCOc2cc(Br)cc3c(C)ncnc23)nc1.
What is the InChIKey of ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate?
The InChIKey is MMUYFPCSOIPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O3/c1-4-27-18(26)13-9-21-19(22-10-13)25(3)5-6-28-16-8-14(20)7-15-12(2)23-11-24-17(15)16/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate?
ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate has a molecular weight of 446.31 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-bromo-4-methylquinazolin-8-yl)oxyethyl-methylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 155666412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).