2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide

C14H23N3O — CID 130266338

IUPAC2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)Nc1cncnc1
InChIInChI=1S/C14H23N3O/c1-13(2,3)6-7-14(4,5)12(18)17-11-8-15-10-16-9-11/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyDOUKBLXQKQSBCX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.27
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide

2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide (PubChem CID 130266338) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide
PubChem CID130266338
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)Nc1cncnc1
InChIInChI=1S/C14H23N3O/c1-13(2,3)6-7-14(4,5)12(18)17-11-8-15-10-16-9-11/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyDOUKBLXQKQSBCX-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide (CID 130266338) is 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide is CC(C)(C)CCC(C)(C)C(=O)Nc1cncnc1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide?
The InChIKey is DOUKBLXQKQSBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2,3)6-7-14(4,5)12(18)17-11-8-15-10-16-9-11/h8-10H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide?
2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide has a molecular weight of 249.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide is sourced from PubChem (CID 130266338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).