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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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
CID 160723035
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 170982452
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054
1-[4-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 134816427
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
CID 143752175
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-piperazin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146367
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 143752088
[(2R)-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 129114217
7-[[butyl(methyl)amino]methyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;formamide
CID 143606530

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).