N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide

C13H22N4O — CID 47292928

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C13H22N4O/c1-10-14-7-6-11(16-10)12(18)15-8-13(2,3)9-17(4)5/h6-7H,8-9H2,1-5H3,(H,15,18)
InChIKeyREPVWHGGBKJDBC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 47292928) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide
PubChem CID47292928
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C13H22N4O/c1-10-14-7-6-11(16-10)12(18)15-8-13(2,3)9-17(4)5/h6-7H,8-9H2,1-5H3,(H,15,18)
InChIKeyREPVWHGGBKJDBC-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide (CID 47292928) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NCC(C)(C)CN(C)C)n1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is REPVWHGGBKJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-14-7-6-11(16-10)12(18)15-8-13(2,3)9-17(4)5/h6-7H,8-9H2,1-5H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 47292928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).