6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine

C27H34ClN3Si — CID 142472983

IUPAC6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine
SMILESCC(C)[Si](C#Cc1cc2ccccc2cc1CCNc1cc(Cl)ncn1)(C(C)C)C(C)C
InChIInChI=1S/C27H34ClN3Si/c1-19(2)32(20(3)4,21(5)6)14-12-25-16-23-10-8-7-9-22(23)15-24(25)11-13-29-27-17-26(28)30-18-31-27/h7-10,15-21H,11,13H2,1-6H3,(H,29,30,31)
InChIKeyTXLSXLUAXKZYSS-UHFFFAOYSA-N
MW464.13 g/mol
LogP7.51
Rot. Bonds7

About 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine

6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 142472983) has the molecular formula C27H34ClN3Si and a molecular weight of 464.13 g/mol. Its IUPAC name is 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine
PubChem CID142472983
Molecular FormulaC27H34ClN3Si
Molecular Weight464.13 g/mol
Exact Mass463.22
IUPAC Name6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine
SMILESCC(C)[Si](C#Cc1cc2ccccc2cc1CCNc1cc(Cl)ncn1)(C(C)C)C(C)C
InChIInChI=1S/C27H34ClN3Si/c1-19(2)32(20(3)4,21(5)6)14-12-25-16-23-10-8-7-9-22(23)15-24(25)11-13-29-27-17-26(28)30-18-31-27/h7-10,15-21H,11,13H2,1-6H3,(H,29,30,31)
InChIKeyTXLSXLUAXKZYSS-UHFFFAOYSA-N
XLogP7.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.13
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
CID 135381034
3-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135382034
6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
CID 135380086
6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380668
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380074
6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
6-chloro-N-[2-[4-(difluoromethyl)-5-fluoro-2-methoxyphenyl]ethyl]pyrimidin-4-amine
CID 135381055
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067
6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 135381332
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine (CID 142472983) is 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine is CC(C)[Si](C#Cc1cc2ccccc2cc1CCNc1cc(Cl)ncn1)(C(C)C)C(C)C.
What is the InChIKey of 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is TXLSXLUAXKZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3Si/c1-19(2)32(20(3)4,21(5)6)14-12-25-16-23-10-8-7-9-22(23)15-24(25)11-13-29-27-17-26(28)30-18-31-27/h7-10,15-21H,11,13H2,1-6H3,(H,29,30,31).
What are the key properties of 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine?
6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 464.13 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 142472983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).