3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide

C15H16N4O2 — CID 60507824

IUPAC3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc2c1oc1ccccc12)C(N)=O
InChIInChI=1S/C15H16N4O2/c1-15(2,14(16)20)7-17-13-12-11(18-8-19-13)9-5-3-4-6-10(9)21-12/h3-6,8H,7H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyHBBRWEGTHDPYRE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.30
Rot. Bonds4

About 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide

3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide (PubChem CID 60507824) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
PubChem CID60507824
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc2c1oc1ccccc12)C(N)=O
InChIInChI=1S/C15H16N4O2/c1-15(2,14(16)20)7-17-13-12-11(18-8-19-13)9-5-3-4-6-10(9)21-12/h3-6,8H,7H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyHBBRWEGTHDPYRE-UHFFFAOYSA-N
XLogP2.30
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide (CID 60507824) is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide is CC(C)(CNc1ncnc2c1oc1ccccc12)C(N)=O.
What is the InChIKey of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide?
The InChIKey is HBBRWEGTHDPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2,14(16)20)7-17-13-12-11(18-8-19-13)9-5-3-4-6-10(9)21-12/h3-6,8H,7H2,1-2H3,(H2,16,20)(H,17,18,19).
What are the key properties of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide?
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide has a molecular weight of 284.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 60507824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).