1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide

C15H25N5O — CID 80960881

IUPAC1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCNc1cc(N2CCCCC2C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-15(2,3)14-18-11(17-4)9-12(19-14)20-8-6-5-7-10(20)13(16)21/h9-10H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19)
InChIKeyDTZQSRATUUYXDL-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide

1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide (PubChem CID 80960881) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
PubChem CID80960881
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCNc1cc(N2CCCCC2C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-15(2,3)14-18-11(17-4)9-12(19-14)20-8-6-5-7-10(20)13(16)21/h9-10H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19)
InChIKeyDTZQSRATUUYXDL-UHFFFAOYSA-N
XLogP1.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide (CID 80960881) is 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide is CNc1cc(N2CCCCC2C(N)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The InChIKey is DTZQSRATUUYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)14-18-11(17-4)9-12(19-14)20-8-6-5-7-10(20)13(16)21/h9-10H,5-8H2,1-4H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 80960881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).