4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C20H32N6 — CID 46986051

IUPAC4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)c1C
InChIInChI=1S/C20H32N6/c1-7-10-26-14(2)16(13-22-26)17-8-9-21-18(24-17)23-15-11-19(3,4)25-20(5,6)12-15/h8-9,13,15,25H,7,10-12H2,1-6H3,(H,21,23,24)
InChIKeyBRWJROJPTLSMBN-UHFFFAOYSA-N
MW356.52 g/mol
LogP3.78
Rot. Bonds5

About 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 46986051) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID46986051
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)c1C
InChIInChI=1S/C20H32N6/c1-7-10-26-14(2)16(13-22-26)17-8-9-21-18(24-17)23-15-11-19(3,4)25-20(5,6)12-15/h8-9,13,15,25H,7,10-12H2,1-6H3,(H,21,23,24)
InChIKeyBRWJROJPTLSMBN-UHFFFAOYSA-N
XLogP3.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 46986051) is 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CCCn1ncc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)c1C.
What is the InChIKey of 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is BRWJROJPTLSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-7-10-26-14(2)16(13-22-26)17-8-9-21-18(24-17)23-15-11-19(3,4)25-20(5,6)12-15/h8-9,13,15,25H,7,10-12H2,1-6H3,(H,21,23,24).
What are the key properties of 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 356.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-propylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46986051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).