N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium

C29H36Cl2N3O2SiY- — CID 58464484

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium
SMILESCCc1c[c-]c(-c2c(C)cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2C)cc1.[Y]
InChIInChI=1S/C29H36Cl2N3O2Si.Y/c1-9-21-10-12-22(13-11-21)24-19(2)16-23(17-20(24)3)34(14-15-36-37(7,8)29(4,5)6)28(35)25-26(30)32-18-33-27(25)31;/h10-12,16-18H,9,14-15H2,1-8H3;/q-1;
InChIKeyQWTUMASVOFYSJI-UHFFFAOYSA-N
MW646.52 g/mol
LogP8.10
Rot. Bonds8

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium (PubChem CID 58464484) has the molecular formula C29H36Cl2N3O2SiY- and a molecular weight of 646.52 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium
PubChem CID58464484
Molecular FormulaC29H36Cl2N3O2SiY-
Molecular Weight646.52 g/mol
Exact Mass645.10
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium
SMILESCCc1c[c-]c(-c2c(C)cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2C)cc1.[Y]
InChIInChI=1S/C29H36Cl2N3O2Si.Y/c1-9-21-10-12-22(13-11-21)24-19(2)16-23(17-20(24)3)34(14-15-36-37(7,8)29(4,5)6)28(35)25-26(30)32-18-33-27(25)31;/h10-12,16-18H,9,14-15H2,1-8H3;/q-1;
InChIKeyQWTUMASVOFYSJI-UHFFFAOYSA-N
XLogP8.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.52
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium (CID 58464484) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium is CCc1c[c-]c(-c2c(C)cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2C)cc1.[Y].
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium?
The InChIKey is QWTUMASVOFYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Cl2N3O2Si.Y/c1-9-21-10-12-22(13-11-21)24-19(2)16-23(17-20(24)3)34(14-15-36-37(7,8)29(4,5)6)28(35)25-26(30)32-18-33-27(25)31;/h10-12,16-18H,9,14-15H2,1-8H3;/q-1;.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium has a molecular weight of 646.52 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[4-(4-ethylbenzene-6-id-1-yl)-3,5-dimethylphenyl]pyrimidine-5-carboxamide;yttrium is sourced from PubChem (CID 58464484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).