1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea

C20H17N5O2 — CID 10338500

IUPAC1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-3-5-16(12)25-20(26)24-14-8-6-13(7-9-14)15-10-27-19-17(15)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
InChIKeyISVHLTLEHRZKJC-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea

1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 10338500) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea
PubChem CID10338500
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-3-5-16(12)25-20(26)24-14-8-6-13(7-9-14)15-10-27-19-17(15)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
InChIKeyISVHLTLEHRZKJC-UHFFFAOYSA-N
XLogP4.42
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea (CID 10338500) is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(-c2coc3ncnc(N)c23)cc1.
What is the InChIKey of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is ISVHLTLEHRZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-4-2-3-5-16(12)25-20(26)24-14-8-6-13(7-9-14)15-10-27-19-17(15)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26).
What are the key properties of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea?
1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 359.39 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 10338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).