[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea

C20H17N5O3 — CID 5329815

IUPAC[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H17N5O3/c1-27-14-8-4-12(5-9-14)17-15(16-18(21)23-10-24-19(16)28-17)11-2-6-13(7-3-11)25-20(22)26/h2-10H,1H3,(H2,21,23,24)(H3,22,25,26)
InChIKeyDVAKZOIIORDUJI-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.64
Rot. Bonds4

About [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea

[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea (PubChem CID 5329815) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea
PubChem CID5329815
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H17N5O3/c1-27-14-8-4-12(5-9-14)17-15(16-18(21)23-10-24-19(16)28-17)11-2-6-13(7-3-11)25-20(22)26/h2-10H,1H3,(H2,21,23,24)(H3,22,25,26)
InChIKeyDVAKZOIIORDUJI-UHFFFAOYSA-N
XLogP3.64
TPSA129.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea?
The IUPAC name of [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea (CID 5329815) is [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea.
What is the SMILES notation for [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea?
The canonical SMILES for [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea is COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea?
The InChIKey is DVAKZOIIORDUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-14-8-4-12(5-9-14)17-15(16-18(21)23-10-24-19(16)28-17)11-2-6-13(7-3-11)25-20(22)26/h2-10H,1H3,(H2,21,23,24)(H3,22,25,26).
What are the key properties of [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea?
[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea has a molecular weight of 375.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]urea is sourced from PubChem (CID 5329815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).