2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

C17H28N4O — CID 82456357

IUPAC2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4O/c1-16(2)9-12(10-17(3,4)21-16)18-13-8-14(22-5)20-15(19-13)11-6-7-11/h8,11-12,21H,6-7,9-10H2,1-5H3,(H,18,19,20)
InChIKeySMELJNNYPCYKSF-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.08
Rot. Bonds4

About 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 82456357) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID82456357
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4O/c1-16(2)9-12(10-17(3,4)21-16)18-13-8-14(22-5)20-15(19-13)11-6-7-11/h8,11-12,21H,6-7,9-10H2,1-5H3,(H,18,19,20)
InChIKeySMELJNNYPCYKSF-UHFFFAOYSA-N
XLogP3.08
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 82456357) is 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is COc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is SMELJNNYPCYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-16(2)9-12(10-17(3,4)21-16)18-13-8-14(22-5)20-15(19-13)11-6-7-11/h8,11-12,21H,6-7,9-10H2,1-5H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 82456357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).