2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide

C18H20N6O4 — CID 166812233

IUPAC2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C18H20N6O4/c1-4-24-16(26)11-6-7-12(28-5-2)14(27-3)13(11)22-18(24)23-15(25)10-8-20-17(19)21-9-10/h6-9H,4-5H2,1-3H3,(H2,19,20,21)(H,22,23,25)
InChIKeyJIACWFATZVFCQW-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide

2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide (PubChem CID 166812233) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
PubChem CID166812233
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C18H20N6O4/c1-4-24-16(26)11-6-7-12(28-5-2)14(27-3)13(11)22-18(24)23-15(25)10-8-20-17(19)21-9-10/h6-9H,4-5H2,1-3H3,(H2,19,20,21)(H,22,23,25)
InChIKeyJIACWFATZVFCQW-UHFFFAOYSA-N
XLogP1.45
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide (CID 166812233) is 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide is CCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC.
What is the InChIKey of 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is JIACWFATZVFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-4-24-16(26)11-6-7-12(28-5-2)14(27-3)13(11)22-18(24)23-15(25)10-8-20-17(19)21-9-10/h6-9H,4-5H2,1-3H3,(H2,19,20,21)(H,22,23,25).
What are the key properties of 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide?
2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166812233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).