N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine

C20H28N6Si — CID 66927380

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESC[Si](C)(C)C#Cc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H28N6Si/c1-27(2,3)12-9-16-14-21-20(26-10-5-4-6-11-26)23-19(16)22-18-13-17(24-25-18)15-7-8-15/h13-15H,4-8,10-11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyCOQMNGBXKKJFLR-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.04
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine (PubChem CID 66927380) has the molecular formula C20H28N6Si and a molecular weight of 380.57 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
PubChem CID66927380
Molecular FormulaC20H28N6Si
Molecular Weight380.57 g/mol
Exact Mass380.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESC[Si](C)(C)C#Cc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H28N6Si/c1-27(2,3)12-9-16-14-21-20(26-10-5-4-6-11-26)23-19(16)22-18-13-17(24-25-18)15-7-8-15/h13-15H,4-8,10-11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyCOQMNGBXKKJFLR-UHFFFAOYSA-N
XLogP4.04
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine (CID 66927380) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine is C[Si](C)(C)C#Cc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The InChIKey is COQMNGBXKKJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6Si/c1-27(2,3)12-9-16-14-21-20(26-10-5-4-6-11-26)23-19(16)22-18-13-17(24-25-18)15-7-8-15/h13-15H,4-8,10-11H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine has a molecular weight of 380.57 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine is sourced from PubChem (CID 66927380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).