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

C23H17N5O2 — CID 23646941

IUPAC1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea
SMILESNc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
InChIInChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
InChIKeyKFCVIOJQUCKOOW-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.27
Rot. Bonds3

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

1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea (PubChem CID 23646941) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea
PubChem CID23646941
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea
SMILESNc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
InChIInChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
InChIKeyKFCVIOJQUCKOOW-UHFFFAOYSA-N
XLogP5.27
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.27
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-naphthalen-1-ylurea?
The IUPAC name of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea (CID 23646941) is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea is Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12.
What is the InChIKey of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea?
The InChIKey is KFCVIOJQUCKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29).
What are the key properties of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea?
1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-naphthalen-1-ylurea has a molecular weight of 395.42 g/mol, XLogP of 5.27, 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-naphthalen-1-ylurea is sourced from PubChem (CID 23646941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).