2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide

C16H17N5O2 — CID 71520798

IUPAC2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(C)COc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1C#N
InChIInChI=1S/C16H17N5O2/c1-9(2)8-23-14-4-3-10(5-11(14)7-17)12-6-13(15(18)22)21-16(19)20-12/h3-6,9H,8H2,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeySCDJJRASEYIMMJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide

2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 71520798) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID71520798
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(C)COc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1C#N
InChIInChI=1S/C16H17N5O2/c1-9(2)8-23-14-4-3-10(5-11(14)7-17)12-6-13(15(18)22)21-16(19)20-12/h3-6,9H,8H2,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeySCDJJRASEYIMMJ-UHFFFAOYSA-N
XLogP1.73
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide (CID 71520798) is 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide is CC(C)COc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1C#N.
What is the InChIKey of 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is SCDJJRASEYIMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9(2)8-23-14-4-3-10(5-11(14)7-17)12-6-13(15(18)22)21-16(19)20-12/h3-6,9H,8H2,1-2H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide?
2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71520798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).