1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea

C22H21N5O2 — CID 11740916

IUPAC1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3c(C)oc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C22H21N5O2/c1-3-14-5-4-6-17(11-14)27-22(28)26-16-9-7-15(8-10-16)18-13(2)29-21-19(18)20(23)24-12-25-21/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28)
InChIKeyPMBSIXYFBNTLCB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.99
Rot. Bonds4

About 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea

1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea (PubChem CID 11740916) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea
PubChem CID11740916
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3c(C)oc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C22H21N5O2/c1-3-14-5-4-6-17(11-14)27-22(28)26-16-9-7-15(8-10-16)18-13(2)29-21-19(18)20(23)24-12-25-21/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28)
InChIKeyPMBSIXYFBNTLCB-UHFFFAOYSA-N
XLogP4.99
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea (CID 11740916) is 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2ccc(-c3c(C)oc4ncnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea?
The InChIKey is PMBSIXYFBNTLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-14-5-4-6-17(11-14)27-22(28)26-16-9-7-15(8-10-16)18-13(2)29-21-19(18)20(23)24-12-25-21/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28).
What are the key properties of 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea?
1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea has a molecular weight of 387.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-methylfuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 11740916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).