1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea

C19H23N5O3 — CID 53236132

IUPAC1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COC3)cc1
InChIInChI=1S/C19H23N5O3/c1-2-20-19(25)21-14-5-3-13(4-6-14)17-22-16-12-27-11-15(16)18(23-17)24-7-9-26-10-8-24/h3-6H,2,7-12H2,1H3,(H2,20,21,25)
InChIKeyHQTQDAGTXZUDOH-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.15
Rot. Bonds4

About 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea

1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 53236132) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea
PubChem CID53236132
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COC3)cc1
InChIInChI=1S/C19H23N5O3/c1-2-20-19(25)21-14-5-3-13(4-6-14)17-22-16-12-27-11-15(16)18(23-17)24-7-9-26-10-8-24/h3-6H,2,7-12H2,1H3,(H2,20,21,25)
InChIKeyHQTQDAGTXZUDOH-UHFFFAOYSA-N
XLogP2.15
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea (CID 53236132) is 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COC3)cc1.
What is the InChIKey of 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is HQTQDAGTXZUDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-20-19(25)21-14-5-3-13(4-6-14)17-22-16-12-27-11-15(16)18(23-17)24-7-9-26-10-8-24/h3-6H,2,7-12H2,1H3,(H2,20,21,25).
What are the key properties of 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea?
1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 53236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).