4-tert-butyl-2-methylpyrimidine-5-carboxamide

C10H15N3O — CID 89417187

IUPAC4-tert-butyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(C(C)(C)C)n1
InChIInChI=1S/C10H15N3O/c1-6-12-5-7(9(11)14)8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,14)
InChIKeyYNDQQIQEYAHGPK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds1

About 4-tert-butyl-2-methylpyrimidine-5-carboxamide

4-tert-butyl-2-methylpyrimidine-5-carboxamide (PubChem CID 89417187) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-tert-butyl-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-2-methylpyrimidine-5-carboxamide
PubChem CID89417187
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-tert-butyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(C(C)(C)C)n1
InChIInChI=1S/C10H15N3O/c1-6-12-5-7(9(11)14)8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,14)
InChIKeyYNDQQIQEYAHGPK-UHFFFAOYSA-N
XLogP1.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-tert-butyl-2-methylpyrimidine-5-carboxamide (CID 89417187) is 4-tert-butyl-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-tert-butyl-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(N)=O)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2-methylpyrimidine-5-carboxamide?
The InChIKey is YNDQQIQEYAHGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-12-5-7(9(11)14)8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,14).
What are the key properties of 4-tert-butyl-2-methylpyrimidine-5-carboxamide?
4-tert-butyl-2-methylpyrimidine-5-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 89417187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).