N,N,2,4-tetramethylpyrimidine-5-carboxamide

C9H13N3O — CID 126992090

IUPACN,N,2,4-tetramethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(C)n1
InChIInChI=1S/C9H13N3O/c1-6-8(9(13)12(3)4)5-10-7(2)11-6/h5H,1-4H3
InChIKeyFWDKATGICOVUBT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.80
Rot. Bonds1

About N,N,2,4-tetramethylpyrimidine-5-carboxamide

N,N,2,4-tetramethylpyrimidine-5-carboxamide (PubChem CID 126992090) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N,N,2,4-tetramethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,2,4-tetramethylpyrimidine-5-carboxamide
PubChem CID126992090
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN,N,2,4-tetramethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(C)n1
InChIInChI=1S/C9H13N3O/c1-6-8(9(13)12(3)4)5-10-7(2)11-6/h5H,1-4H3
InChIKeyFWDKATGICOVUBT-UHFFFAOYSA-N
XLogP0.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2,4-tetramethylpyrimidine-5-carboxamide?
The IUPAC name of N,N,2,4-tetramethylpyrimidine-5-carboxamide (CID 126992090) is N,N,2,4-tetramethylpyrimidine-5-carboxamide.
What is the SMILES notation for N,N,2,4-tetramethylpyrimidine-5-carboxamide?
The canonical SMILES for N,N,2,4-tetramethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)C)c(C)n1.
What is the InChIKey of N,N,2,4-tetramethylpyrimidine-5-carboxamide?
The InChIKey is FWDKATGICOVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-8(9(13)12(3)4)5-10-7(2)11-6/h5H,1-4H3.
What are the key properties of N,N,2,4-tetramethylpyrimidine-5-carboxamide?
N,N,2,4-tetramethylpyrimidine-5-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4-tetramethylpyrimidine-5-carboxamide is sourced from PubChem (CID 126992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).