2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine

C17H14N4O — CID 665110

IUPAC2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine
SMILESCc1nc(-c2cnn(-c3ccccc3)c2)c2cc(C)oc2n1
InChIInChI=1S/C17H14N4O/c1-11-8-15-16(19-12(2)20-17(15)22-11)13-9-18-21(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyOQRFEKDTJZAPAO-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.69
Rot. Bonds2

About 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine

2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine (PubChem CID 665110) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine
PubChem CID665110
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine
SMILESCc1nc(-c2cnn(-c3ccccc3)c2)c2cc(C)oc2n1
InChIInChI=1S/C17H14N4O/c1-11-8-15-16(19-12(2)20-17(15)22-11)13-9-18-21(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3
InChIKeyOQRFEKDTJZAPAO-UHFFFAOYSA-N
XLogP3.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine?
The IUPAC name of 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine (CID 665110) is 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine?
The canonical SMILES for 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine is Cc1nc(-c2cnn(-c3ccccc3)c2)c2cc(C)oc2n1.
What is the InChIKey of 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine?
The InChIKey is OQRFEKDTJZAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-8-15-16(19-12(2)20-17(15)22-11)13-9-18-21(10-13)14-6-4-3-5-7-14/h3-10H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine?
2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine has a molecular weight of 290.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-phenylpyrazol-4-yl)furo[2,3-d]pyrimidine is sourced from PubChem (CID 665110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).