4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile

C16H14N6O — CID 11232021

IUPAC4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C16H14N6O/c1-9(2)23-15-13-14(21-16(18)22-15)19-8-12(20-13)11-5-3-10(7-17)4-6-11/h3-6,8-9H,1-2H3,(H2,18,19,21,22)
InChIKeyGCGSRKNMUKKHGH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.33
Rot. Bonds3

About 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile

4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile (PubChem CID 11232021) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile
PubChem CID11232021
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C16H14N6O/c1-9(2)23-15-13-14(21-16(18)22-15)19-8-12(20-13)11-5-3-10(7-17)4-6-11/h3-6,8-9H,1-2H3,(H2,18,19,21,22)
InChIKeyGCGSRKNMUKKHGH-UHFFFAOYSA-N
XLogP2.33
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile?
The IUPAC name of 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile (CID 11232021) is 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile.
What is the SMILES notation for 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile?
The canonical SMILES for 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile is CC(C)Oc1nc(N)nc2ncc(-c3ccc(C#N)cc3)nc12.
What is the InChIKey of 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile?
The InChIKey is GCGSRKNMUKKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9(2)23-15-13-14(21-16(18)22-15)19-8-12(20-13)11-5-3-10(7-17)4-6-11/h3-6,8-9H,1-2H3,(H2,18,19,21,22).
What are the key properties of 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile?
4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-propan-2-yloxypteridin-6-yl)benzonitrile is sourced from PubChem (CID 11232021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).