ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate

C16H16N4O4 — CID 42612485

IUPACethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2nc(N)nc(N)c12
InChIInChI=1S/C16H16N4O4/c1-3-23-15(21)10-11-13(17)19-16(18)20-14(11)24-12(10)8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H4,17,18,19,20)
InChIKeyRHLKLPHYRJLZNW-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.24
Rot. Bonds4

About ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate

ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 42612485) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID42612485
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Nameethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2nc(N)nc(N)c12
InChIInChI=1S/C16H16N4O4/c1-3-23-15(21)10-11-13(17)19-16(18)20-14(11)24-12(10)8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H4,17,18,19,20)
InChIKeyRHLKLPHYRJLZNW-UHFFFAOYSA-N
XLogP2.24
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
CID 71489624
ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
CID 14639123
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
CID 71813757
ethyl 4-amino-2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 41434290
ethyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)furo[2,3-b]pyridine-5-carboxylate
CID 118716267
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 152807830

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate (CID 42612485) is ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)oc2nc(N)nc(N)c12.
What is the InChIKey of ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RHLKLPHYRJLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-3-23-15(21)10-11-13(17)19-16(18)20-14(11)24-12(10)8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H4,17,18,19,20).
What are the key properties of ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 42612485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).