N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide

C13H23N5O — CID 4069395

IUPACN-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(C)(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-13(2,3)16-11(19)9-8-10(17(4)5)15-12(14-9)18(6)7/h8H,1-7H3,(H,16,19)
InChIKeyCJFKRHKABFYELX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds3

About N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide

N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide (PubChem CID 4069395) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide
PubChem CID4069395
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(C)(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-13(2,3)16-11(19)9-8-10(17(4)5)15-12(14-9)18(6)7/h8H,1-7H3,(H,16,19)
InChIKeyCJFKRHKABFYELX-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide (CID 4069395) is N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide is CN(C)c1cc(C(=O)NC(C)(C)C)nc(N(C)C)n1.
What is the InChIKey of N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide?
The InChIKey is CJFKRHKABFYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,3)16-11(19)9-8-10(17(4)5)15-12(14-9)18(6)7/h8H,1-7H3,(H,16,19).
What are the key properties of N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide?
N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-bis(dimethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 4069395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).