1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea

C20H25N5O3 — CID 53236131

IUPAC1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COCC3)cc1
InChIInChI=1S/C20H25N5O3/c1-2-21-20(26)22-15-5-3-14(4-6-15)18-23-17-7-10-28-13-16(17)19(24-18)25-8-11-27-12-9-25/h3-6H,2,7-13H2,1H3,(H2,21,22,26)
InChIKeyYRPYSBTYOXXVGG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.19
Rot. Bonds4

About 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea

1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 53236131) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea
PubChem CID53236131
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COCC3)cc1
InChIInChI=1S/C20H25N5O3/c1-2-21-20(26)22-15-5-3-14(4-6-15)18-23-17-7-10-28-13-16(17)19(24-18)25-8-11-27-12-9-25/h3-6H,2,7-13H2,1H3,(H2,21,22,26)
InChIKeyYRPYSBTYOXXVGG-UHFFFAOYSA-N
XLogP2.19
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.19
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-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea (CID 53236131) is 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COCC3)cc1.
What is the InChIKey of 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is YRPYSBTYOXXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-2-21-20(26)22-15-5-3-14(4-6-15)18-23-17-7-10-28-13-16(17)19(24-18)25-8-11-27-12-9-25/h3-6H,2,7-13H2,1H3,(H2,21,22,26).
What are the key properties of 1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea?
1-ethyl-3-[4-(4-morpholin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 383.45 g/mol, XLogP of 2.19, 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-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 53236131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).